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2,4,6-Trinitrotoluene (TNT) is an organic chemical compound with the formula C?H?N?O?. It is a yellow crystalline solid that is widely known for its use as a chemical explosive. TNT is relatively stable and insensitive to shock and friction, which makes it a popular choice for military and industrial applications. It was first prepared in 1863 by German chemist Joseph Wilbrand, and its name is derived from the fact that it contains three nitro groups (-NO?) attached to a toluene molecule. TNT is also used as a chemical intermediate in the synthesis of other explosives and as a standard for calibrating the explosive power of other compounds. Due to its toxicity and environmental impact, its use has been restricted in many countries, and efforts are being made to find safer alternatives.

118-96-7 Suppliers

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  • 118-96-7 Structure
  • Basic information

    1. Product Name: Trinitrotoluene
    2. Synonyms: Toluene,2,4,6-trinitro- (7CI,8CI);1-Methyl-2,4,6-trinitrobenzene;2-Methyl-1,3,5-trinitrobenzene;4-Methyl-1,3,5-trinitrobenzene;Gradetol;NSC 36949;TNT;Trinitrotoluene;Tritol(explosive);Trotyl;Trotyl oil;sym-Trinitrotoluene;sym-Trinitrotoluol;a-TNT;
    3. CAS NO:118-96-7
    4. Molecular Formula: C7H5N3O6
    5. Molecular Weight: 227.15
    6. EINECS: 204-289-6
    7. Product Categories: N/A
    8. Mol File: 118-96-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 339.227 °C at 760 mmHg
    3. Flash Point: 167.109 °C
    4. Appearance: yellow crystals
    5. Density: 1.608 g/cm3
    6. Vapor Pressure: 1.49E-06mmHg at 25°C
    7. Refractive Index: 1.655
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: Trinitrotoluene(CAS DataBase Reference)
    11. NIST Chemistry Reference: Trinitrotoluene(118-96-7)
    12. EPA Substance Registry System: Trinitrotoluene(118-96-7)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 118-96-7(Hazardous Substances Data)

118-96-7 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 118-96-7 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 1,1 and 8 respectively; the second part has 2 digits, 9 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 118-96:
(5*1)+(4*1)+(3*8)+(2*9)+(1*6)=57
57 % 10 = 7
So 118-96-7 is a valid CAS Registry Number.
InChI:InChI=1/C6H3N3O6/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h1-3H

118-96-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,4,6-trinitrotoluene

1.2 Other means of identification

Product number -
Other names 1-methyl-2,4,6-trinitrobenzene

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. CBI,Laboratory chemicals,Propellants and blowing agents
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:118-96-7 SDS

118-96-7Synthetic route

1-methyl-4-nitrobenzene
99-99-0

1-methyl-4-nitrobenzene

2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

Conditions
ConditionsYield
With sulfuric acid; nitric acid at 110℃; for 4h; Temperature;92.2%
With sulfuric acid; nitric acid at 20 - 100℃; Nitration;89%
With sulfuric acid; nitric acid 1.) 0 deg C, 10 min, 2.) 95 deg C, 6 h, then room temp., 12 h;69%
1-methyl-2-nitrobenzene
88-72-2

1-methyl-2-nitrobenzene

2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

Conditions
ConditionsYield
With sulfuric acid; nitric acid at 110℃; for 4h;92.2%
With sulfuric acid; nitric acid
durch Nitrierung;
toluene
108-88-3

toluene

2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

Conditions
ConditionsYield
With sulfuric acid; nitric acid at 20 - 90℃; Nitration;84%
With nitric acid; Petroleum ether azeotropes Abdestillieren des gebildeten Wassers;
With sulfuric acid; nitric acid
2,4-dinitrotoluene
121-14-2

2,4-dinitrotoluene

2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

Conditions
ConditionsYield
With sulfuric acid; nitric acid 1.) 90-100 deg C, 2 h, 2.) 25 deg C, overnight;62%
Nitrierung;
durch Nitrierung;
1,3,5-trinitrobenzene
99-35-4

1,3,5-trinitrobenzene

2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

Conditions
ConditionsYield
With lead(IV) acetate; acetic acid
4-methylisopropylbenzene
99-87-6

4-methylisopropylbenzene

2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

Conditions
ConditionsYield
With sulfuric acid; nitric acid at 60 - 70℃;
2,6-dinitrotoluene
606-20-2

2,6-dinitrotoluene

2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

Conditions
ConditionsYield
With sulfuric acid; nitric acid at 93 - 103℃;
With ammonium nitrate In sulfuric acid at 0 - 25℃;
2,4,6-trinitrophenylacetic acid
77601-83-3

2,4,6-trinitrophenylacetic acid

2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

Conditions
ConditionsYield
With water
With ethanol
meta-dinitrobenzene
99-65-0

meta-dinitrobenzene

lead(IV) tetraacetate
546-67-8

lead(IV) tetraacetate

acetic acid
64-19-7

acetic acid

A

2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

B

2,4-dimethyl-1,3,5-trinitrobenzene
632-92-8

2,4-dimethyl-1,3,5-trinitrobenzene

Conditions
ConditionsYield
Erwaermen des Reaktionsprodukts mit rauchender Salpetersaeure und konz. H2SO4 auf 75-120grad;
1,3,5-trinitrobenzene
99-35-4

1,3,5-trinitrobenzene

lead(IV) tetraacetate
546-67-8

lead(IV) tetraacetate

acetic acid
64-19-7

acetic acid

A

2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

B

2,4-dimethyl-1,3,5-trinitrobenzene
632-92-8

2,4-dimethyl-1,3,5-trinitrobenzene

2,4-dinitrotoluene
121-14-2

2,4-dinitrotoluene

A

2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

B

carbon monoxide
201230-82-2

carbon monoxide

Conditions
ConditionsYield
With sulfuric acid; nitric acid Thermodynamic data; ΔH, E(a);
2,4-dinitrotoluene
121-14-2

2,4-dinitrotoluene

A

2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

B

1-bromo-2-methyl-3,5-dinitrobenzene
18242-38-1

1-bromo-2-methyl-3,5-dinitrobenzene

Conditions
ConditionsYield
With sulfuric acid; bromine; nitric acid at 90℃; for 0.166667h; Title compound not separated from byproducts;A 0.4 % Chromat.
B 94.7 % Chromat.
2,4-dinitrotoluene
121-14-2

2,4-dinitrotoluene

A

2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

B

1-bromo-2-methyl-3,5-dinitrobenzene
18242-38-1

1-bromo-2-methyl-3,5-dinitrobenzene

C

1-chloro-2-methyl-3,5-dinitrobenzene
96-90-2

1-chloro-2-methyl-3,5-dinitrobenzene

Conditions
ConditionsYield
With sulfuric acid; nitric acid; chlorine at 90℃; for 0.8h; Rate constant; Mechanism; Product distribution; further reaction times; oleum instead of sulphuric acid;A 19.1 % Chromat.
B 8.8 % Chromat.
C 52.3 % Chromat.
C12H11N4O8(1-)

C12H11N4O8(1-)

A

2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

B

ethyl cyanoacetate anion
31124-95-5

ethyl cyanoacetate anion

Conditions
ConditionsYield
With sodium methylate In methanol at 25℃; Equilibrium constant; Rate constant;
C12H12N3O10(1-)

C12H12N3O10(1-)

A

bis-methoxycarbonyl-methanide
33673-07-3

bis-methoxycarbonyl-methanide

B

2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

Conditions
ConditionsYield
With sodium methylate In methanol at 25℃; Equilibrium constant; Rate constant;
C16H10N5O6(1-)

C16H10N5O6(1-)

A

2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

B

p-cyano-phenyl-acetonitrile anion
64764-41-6

p-cyano-phenyl-acetonitrile anion

Conditions
ConditionsYield
With sodium methylate In methanol at 25℃; Equilibrium constant; Rate constant;
C16H10N5O6(1-)

C16H10N5O6(1-)

A

2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

B

2-cyanobenzyl cyanide anion
163977-20-6

2-cyanobenzyl cyanide anion

Conditions
ConditionsYield
With sodium methylate In methanol at 25℃; Equilibrium constant; Rate constant;
C15H10N5O8(1-)

C15H10N5O8(1-)

A

2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

B

4-nitrobenzyl cyanide anion
48129-94-8

4-nitrobenzyl cyanide anion

Conditions
ConditionsYield
With sodium methylate In methanol at 25℃; Equilibrium constant; Rate constant;
C10H13N4O6(1-)

C10H13N4O6(1-)

A

2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

B

isopropylamine
75-31-0

isopropylamine

Conditions
ConditionsYield
With Isopropylamine hydroperchlorate In dimethyl sulfoxide at 25℃; Equilibrium constant;
C11H15N4O6(1-)

C11H15N4O6(1-)

A

2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

B

N-butylamine
109-73-9

N-butylamine

Conditions
ConditionsYield
With n-butylammonium perchlorate In dimethyl sulfoxide at 25℃; Equilibrium constant;
C7H5N3O9S(2-)

C7H5N3O9S(2-)

2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

Conditions
ConditionsYield
With sodium sulfite In water at 25℃; Equilibrium constant; variation with solvent composition;
C12H15N4O6(1-)

C12H15N4O6(1-)

A

piperidine
110-89-4

piperidine

B

2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

Conditions
ConditionsYield
With piperidine hydrochloride In dimethyl sulfoxide at 25℃; Equilibrium constant;
C14H13N4O6(1-)

C14H13N4O6(1-)

A

2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

B

benzylamine
100-46-9

benzylamine

Conditions
ConditionsYield
With benzylamine hydrogenperchlorate In dimethyl sulfoxide at 25℃; Equilibrium constant;
C9H16N2*C7H4N3O6(1-)*H(1+)

C9H16N2*C7H4N3O6(1-)*H(1+)

A

2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

B

1,8-diazabicyclo[5.4.0]undec-7-ene
6674-22-2

1,8-diazabicyclo[5.4.0]undec-7-ene

Conditions
ConditionsYield
In acetonitrile at 25℃; Rate constant; different solvents;
C8H8N3O7(1-)*Na(1+)

C8H8N3O7(1-)*Na(1+)

A

2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

B

sodium methylate
124-41-4

sodium methylate

Conditions
ConditionsYield
In methanol; dimethyl sulfoxide at 25℃; Rate constant; Equilibrium constant;
6-methyl-5-(2,4,6-trinitro-benzyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline

6-methyl-5-(2,4,6-trinitro-benzyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline

acetic acid
64-19-7

acetic acid

A

2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

B

hydrastinine acetate

hydrastinine acetate

nitric acid
7697-37-2

nitric acid

toluene
108-88-3

toluene

2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

Conditions
ConditionsYield
unter azeotropem Abdestillieren des entstehenden Wassers;
in der Waerme bei groesserer Konzentration der Salpetersaeure;
unter azeotropem Abdestillieren des entstehenden Wassers;
sulfuric acid
7664-93-9

sulfuric acid

nitric acid
7697-37-2

nitric acid

toluene
108-88-3

toluene

2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

Conditions
ConditionsYield
in der Waerme;
4-methylisopropylbenzene
99-87-6

4-methylisopropylbenzene

sulfuric acid
7664-93-9

sulfuric acid

nitric acid
7697-37-2

nitric acid

A

2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

B

3,5-dinitro-p-toluic acid
16533-71-4

3,5-dinitro-p-toluic acid

Conditions
ConditionsYield
at 60 - 70℃;
2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

terephthalaldehyde,
623-27-8

terephthalaldehyde,

1,4-bis(2,4,6-trinitrostyryl)benzene

1,4-bis(2,4,6-trinitrostyryl)benzene

Conditions
ConditionsYield
With piperidine In benzene for 12h; Knoevenagel Condensation; Dean-Stark; Reflux;95.1%
2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

1-nitromethyl-2,4,6-trinitrobenzene
35113-75-8

1-nitromethyl-2,4,6-trinitrobenzene

Conditions
ConditionsYield
With potassium hydroxide; fluorotrinitromethane In tetrahydrofuran; methanol; water for 0.0333333h; Nitration;95%
2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

C7H17N3*3ClH

C7H17N3*3ClH

Conditions
ConditionsYield
Stage #1: 2,4,6-Trinitrotoluene With hydrogen; pyrographite In methanol at 120℃; under 45004.5 Torr; for 5h; Large scale;
Stage #2: With hydrogenchloride In water for 1h; Reagent/catalyst; Solvent; Pressure; Large scale;
95%
2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

2,4,6-trinitrobenzaldehyde
606-34-8

2,4,6-trinitrobenzaldehyde

2,2’,4,4’,6,6’-hexanitrostilbene
20062-22-0

2,2’,4,4’,6,6’-hexanitrostilbene

Conditions
ConditionsYield
With piperidine In toluene Reflux;94.2%
2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

2,4,6-triaminotoluene hydrochloride

2,4,6-triaminotoluene hydrochloride

Conditions
ConditionsYield
Stage #1: 2,4,6-Trinitrotoluene With hydrogen In toluene at 120℃; under 30003 Torr; for 10h; Autoclave;
Stage #2: With hydrogenchloride In water for 0.5h; Solvent; Pressure; Temperature;
93.1%
2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

benzene-1,3,5-trialdehyde
3163-76-6

benzene-1,3,5-trialdehyde

1,3,5-tris(2,4,6-trinitrostyryl)benzene

1,3,5-tris(2,4,6-trinitrostyryl)benzene

Conditions
ConditionsYield
With piperidine In benzene for 14h; Knoevenagel Condensation; Dean-Stark; Reflux;90.3%
2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

4-methyl-benzaldehyde
104-87-0

4-methyl-benzaldehyde

1,3,5-trinitro-2-[2-(4-methylphenyl)ethenyl]benzene

1,3,5-trinitro-2-[2-(4-methylphenyl)ethenyl]benzene

Conditions
ConditionsYield
With piperidine In benzene for 6h; Knoevenagel Condensation; Dean-Stark; Reflux;90.2%
3-methylisoquinoline
1125-80-0

3-methylisoquinoline

2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

benzoyl chloride
98-88-4

benzoyl chloride

[3-Methyl-1-(2,4,6-trinitro-benzyl)-1H-isoquinolin-2-yl]-phenyl-methanone
94170-03-3

[3-Methyl-1-(2,4,6-trinitro-benzyl)-1H-isoquinolin-2-yl]-phenyl-methanone

Conditions
ConditionsYield
In chloroform at 60 - 70℃; for 1h;90%
2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

2,4,6-triaminotoluene trihydrochloride
634-87-7

2,4,6-triaminotoluene trihydrochloride

Conditions
ConditionsYield
With hydrogenchloride; palladium on activated charcoal; hydrogen In methanol at 20℃; under 18751.9 Torr; for 2h; Solvent; Pressure; Time;90%
With iron(III) chloride; pyrographite; hydrazine hydrate In methanol for 7h; Heating;67.8%
2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

3-formyl-4,6-dinitro-1-phenyl-1H-indazole
544676-41-7

3-formyl-4,6-dinitro-1-phenyl-1H-indazole

1-(4,6-dinitro-1-phenyl-1H-indazol-3-yl)-2-(2,4,6-trinitrophenyl)ethanol

1-(4,6-dinitro-1-phenyl-1H-indazol-3-yl)-2-(2,4,6-trinitrophenyl)ethanol

Conditions
ConditionsYield
With potassium carbonate In ethanol at 20℃; for 24h;90%
2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

N,N-dimethyl-formamide dimethyl acetal
4637-24-5

N,N-dimethyl-formamide dimethyl acetal

β-N,N-dimethylamino-2,4,6-trinitrostyrene

β-N,N-dimethylamino-2,4,6-trinitrostyrene

Conditions
ConditionsYield
90%
In toluene at 20℃; for 24h;70%
Isophthalaldehyde
626-19-7

Isophthalaldehyde

2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

1,3-bis(2,4,6-trinitrostyryl)benzene

1,3-bis(2,4,6-trinitrostyryl)benzene

Conditions
ConditionsYield
With piperidine In benzene for 11h; Knoevenagel Condensation; Dean-Stark; Reflux;89.5%
2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

2,4,6-trinitrobenzoic acid
129-66-8

2,4,6-trinitrobenzoic acid

Conditions
ConditionsYield
With sodium chlorate; nitric acid88%
With sodium dichromate; sulfuric acid at 45 - 55℃; for 2h; Oxidation;14%
With sodium chlorate; nitric acid Reinigung ueber das Natrium-Salz;
2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

benzaldehyde
100-52-7

benzaldehyde

1,3,5-trinitro-2-[(E)-2-phenylvinyl]benzene
61599-68-6

1,3,5-trinitro-2-[(E)-2-phenylvinyl]benzene

Conditions
ConditionsYield
With piperidine; silica gel In neat (no solvent) at 120℃; for 0.333333h; Microwave irradiation;88%
With piperidine In benzene for 6h; Condensation; Heating;81%
With HTc-4-Cal In toluene for 15h; Reagent/catalyst; Time; Reflux; Dean-Stark;70%
With piperidine
With piperidine; ethanol at 40℃;
2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

Methyl thioglycolate
2365-48-2

Methyl thioglycolate

A

2,4-dinitro-6-[(methoxycarbonyl)methylthio]toluene
321596-17-2

2,4-dinitro-6-[(methoxycarbonyl)methylthio]toluene

B

(4-methyl-3,5-dinitro-phenylsulfanyl)-acetic acid methyl ester

(4-methyl-3,5-dinitro-phenylsulfanyl)-acetic acid methyl ester

Conditions
ConditionsYield
With potassium carbonate In 1-methyl-pyrrolidin-2-one at 20℃; for 24h;A 88%
B n/a
2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

4-chlorobenzaldehyde
104-88-1

4-chlorobenzaldehyde

2-[(E)-2-(4-Chloro-phenyl)-vinyl]-1,3,5-trinitro-benzene
65200-05-7

2-[(E)-2-(4-Chloro-phenyl)-vinyl]-1,3,5-trinitro-benzene

Conditions
ConditionsYield
With piperidine In benzene for 5.5h; Knoevenagel Condensation; Dean-Stark; Reflux;87.6%
2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

2-chloro-benzaldehyde
89-98-5

2-chloro-benzaldehyde

C14H8ClN3O6

C14H8ClN3O6

Conditions
ConditionsYield
With piperidine In benzene for 6h; Knoevenagel Condensation; Dean-Stark; Reflux;87%
Ethyl 2-mercaptopropionate
19788-49-9

Ethyl 2-mercaptopropionate

2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

A

2-(2-methyl-3,5-dinitro-phenylsulfanyl)-propionic acid ethyl ester

2-(2-methyl-3,5-dinitro-phenylsulfanyl)-propionic acid ethyl ester

B

2-(4-methyl-3,5-dinitro-phenylsulfanyl)-propionic acid ethyl ester

2-(4-methyl-3,5-dinitro-phenylsulfanyl)-propionic acid ethyl ester

Conditions
ConditionsYield
With potassium carbonate In 1-methyl-pyrrolidin-2-one at 20℃; for 24h;A 86%
B n/a
2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

2,4,6-trinitro(α,αα-D3)toluene
52886-05-2

2,4,6-trinitro(α,αα-D3)toluene

Conditions
ConditionsYield
With tributyl-amine; water-d2 In N,N-dimethyl-formamide for 5h;85%
With [(2)H6]acetone; deuteromethanol; water-d2; triethylamine for 1.5h; Ambient temperature;63%
2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

ethane-1,2-dithiol
540-63-6

ethane-1,2-dithiol

1,2-bis((2-methyl-3,5-dinitrophenyl)thio)ethane
1608182-18-8

1,2-bis((2-methyl-3,5-dinitrophenyl)thio)ethane

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 2h;85%
2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

ethyl 2-sulfanylacetate
623-51-8

ethyl 2-sulfanylacetate

(2-methyl-3,5-dinitro-phenylsulfanyl)-acetic acid ethyl ester
367925-03-9

(2-methyl-3,5-dinitro-phenylsulfanyl)-acetic acid ethyl ester

Conditions
ConditionsYield
With alkaline resin In acetone at 50℃; for 20h; Large scale;85%
2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

4-methoxy-benzaldehyde
123-11-5

4-methoxy-benzaldehyde

2-[(E)-2-(4-methoxyphenyl)vinyl]-1,3,5-trinitrobenzene
61599-69-7

2-[(E)-2-(4-methoxyphenyl)vinyl]-1,3,5-trinitrobenzene

Conditions
ConditionsYield
With HTc-4-Cal In toluene for 24h; Knoevenagel Condensation; Reflux; Dean-Stark;83%
With piperidine In benzene for 6h; Condensation; Heating;60%
With piperidine
2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

3-Chlorobenzaldehyde
587-04-2

3-Chlorobenzaldehyde

trans-3′-chloro-2,4,6-trinitrostilbene

trans-3′-chloro-2,4,6-trinitrostilbene

Conditions
ConditionsYield
With piperidine; silica gel In neat (no solvent) at 120℃; for 0.333333h; Microwave irradiation;83%
With HTc-4-Cal In toluene for 24h; Knoevenagel Condensation; Reflux; Dean-Stark;71%
1-thiopropane
107-03-9

1-thiopropane

2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

(2-methyl-3,5-dinitrophenyl)(propyl)sulfane
1608182-14-4

(2-methyl-3,5-dinitrophenyl)(propyl)sulfane

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 2h;83%
2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

phenylmethanethiol
100-53-8

phenylmethanethiol

(2-methyl-5-nitro-1,3-phenylene)bis(benzylsulfane)

(2-methyl-5-nitro-1,3-phenylene)bis(benzylsulfane)

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 20℃;83%
2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

4-methyl-benzaldehyde
104-87-0

4-methyl-benzaldehyde

trans-4′-methyl-2,4,6-trinitrostilbene

trans-4′-methyl-2,4,6-trinitrostilbene

Conditions
ConditionsYield
With piperidine; silica gel In neat (no solvent) at 120℃; for 0.333333h; Microwave irradiation;82%
With piperazine at 80 - 90℃;
2,4,6-Trinitrotoluene
118-96-7

2,4,6-Trinitrotoluene

4-chlorobenzaldehyde
104-88-1

4-chlorobenzaldehyde

trans-4′-chloro-2,4,6-trinitrostilbene
61599-70-0

trans-4′-chloro-2,4,6-trinitrostilbene

Conditions
ConditionsYield
With piperidine; silica gel In neat (no solvent) at 120℃; for 0.333333h; Microwave irradiation;82%
With HTc-4-Cal In toluene for 24h; Knoevenagel Condensation; Reflux; Dean-Stark;70%
With piperidine at 120℃;

118-96-7Related news

Bioaccumulation of 2,4,6-Trinitrotoluene (cas 118-96-7) (TNT) and its metabolites leaking from corroded munition in transplanted blue mussels (M. edulis)09/03/2019

Bioaccumulation of 2,4,6-trinitrotoluene (TNT) and its main metabolites 2-amino-4,6-dinitrotoluene (2-ADNT) and 4-amino-2,6-dinitrotoluene (4-ADNT) leaking from corroded munitions at a munitions dumping site (Kolberger Heide, Germany) was evaluated in transplanted blue mussels (Mytilus edulis). ...detailed

Adsorption of 2,4,6-Trinitrotoluene (cas 118-96-7) on carboxylated porous polystyrene microspheres09/02/2019

Large-pore-size (150 nm) polystyrene (PSt) microspheres were carboxylated with phthalic anhydride (PA) through Friedel–Crafts acetylation to study the adsorption of 2,4,6-trinitrotoluene (TNT) on this material from aqueous solution. The scanning electron microscope (SEM) images and mercury poro...detailed

Photothermal lens microfluidic sensor for femtomole detection of 2,4,6-Trinitrotoluene (cas 118-96-7) based on Meisenheimer complexation08/31/2019

Since the simple and accurate quantification of 2,4,6-trinitrotoluene (TNT) traces is still a challenge for analytical chemists, we employed a recently developed crossed-beam photothermal lens spectrometer for highly sensitive and selective determination of TNT through a well-known Meisenheimer ...detailed

Biotransformation and degradation of 2,4,6-Trinitrotoluene (cas 118-96-7) by microbial metabolism and their interaction08/30/2019

2,4,6-trinitrotoluene (TNT) and its derivatives are nitrogen-containing aromatic compounds having chemical and thermal stability at ambient temperature and pressure. TNT has high toxicity and mutagenic activity to humans, plants and animals, thus decontamination processes are necessary. Many mic...detailed

Surface-promoted hydrolysis of 2,4,6-Trinitrotoluene (cas 118-96-7) and 2,4-dinitroanisole on pyrogenic carbonaceous matter08/29/2019

This study investigates the fate of sorbed nitroaromatics on the surface of pyrogenic carbonaceous matter (PCM) to assess the feasibility of a PCM-promoted hydrolysis. The degradation of two nitroaromatic compounds, 2,4,6-trinitrotoluene (TNT) and 2,4-dinitroanisole, was observed at pH 7 in the ...detailed

Development of analytical methods used for the study of 2,4,6-Trinitrotoluene (cas 118-96-7) degradation kinetics in simulated sediment samples from the Baltic Sea08/27/2019

Large amounts of ammunition containing 2,4,6-trinitrotoluene (TNT) and other substances were dumped in the Baltic Sea after WWII. Considering progressive corrosion processes, studying the transformation of TNT occurring in the environment constitutes an important aspect of a possible associated ...detailed

The novel anthracene decorated dendrimeric cyclophosphazenes for highly selective sensing of 2,4,6-Trinitrotoluene (cas 118-96-7) (TNT)08/26/2019

Novel fluorescent anthracene-decorated cyclotri- and cyclotetraphosphazenes (5 and 6) are designed and synthesized, and their chemosensor behaviors against nitroaromatic compounds are examined by UV/Vis and fluorescence spectroscopies for addressing the sensors with cyclophosphazenes for 2,4,6-t...detailed

118-96-7Relevant articles and documents

Synthesis of 2,4,6-trinitrotoluene (TNT) using flow chemistry

Anderson, David,Berglund, Michael,Diaconu, Gabriela,Emma, Giovanni,Exarchou, Vassiliki,Kyprianou, Dimitris,Rarata, Grzegorz

, (2020)

This paper describes the nitration of 2,4-dinitrotoluene (DNT) and its conversion to 2,4,6-trinitrotoluene (TNT) at a gram scale with the use of a fully automated flow chemistry system. The conversion of DNT to TNT traditionally requires the use of highly hazardous reagents like fuming sulfuric acid (oleum), fuming nitric acid (90-100%), and elevated temperatures. Flow chemistry offers advantages compared to conventional syntheses including a high degree of safety and simpler multistep automation. The configuration and development of this automated process based on a commercially available flow chemistry system is described. A high conversion rate (>99%) was achieved. Unlike established synthetic methods, ordinary nitrating mixture (65% HNO3/98% H2SO4) and shorter reaction times (10-30 min) were applied. The viability of flow nitration as a means of safe and continuous synthesis of TNT was investigated. The method was optimized using an experimental design approach, and the resulting process is safer, faster, and more efficient than previously reported TNT synthesis procedures. We compared the flow chemistry and batch approaches, including a provisional cost calculation for laboratory-scale production (a thorough economic analysis is, however, beyond the scope of this article). The method is considered fit for purpose for the safe production of high-purity explosives standards at a gram scale, which are used to verify that the performance of explosive trace detection equipment complies with EU regulatory requirements.

Aromatic nitration using nitroguanidine and EGDN

Oxley, Jimmie C.,Smith, James L.,Moran, Jesse S.,Canino, Jonathan N.,Almog, Joseph

, p. 4449 - 4451 (2008)

Acid catalyzed nitration has been examined using a variety of novel nitration agents: guanidine nitrate (GN) and nitroguanidine (NQ) as well as the simple nitrate ester, ethylene glycol dinitrate (EGDN). Reactions with either activated or deactivated aromatic substrates proceed rapidly and in high yield. Regioselectivity was similar for all nitrating agents examined. The synthetic advantages of liquid EGDN include high solubility in organic solvents, strong nitration activity and ease of preparation.

Photocatalytic degradation of trinitrotoluene and other nitroaromatic compounds

Dillert, Ralf,Brandt, Matthias,Fornefett, Iris,Siebers, Ulrike,Bahnemann, Detlef

, p. 2333 - 2341 (1995)

The photocatalytic degradation of 2,4,6-trinitrotoluene and ten other nitroaromatic compounds in aerated TiO2 suspensions has been studied. The following order of reactivity was observed: nitrotoluenes > nitrobenzene > dinitrotoluenes > dinitrobenzenes > 2,4,6-trinitrotoluene > 1,3,5-trinitrobenzene, which reflects the known influence of nitro groups towards the attack of electrophilic reagents on the aromatic molecule.

Biotransformation of 2,4,6-trinitrotoluene (TNT) by ectomycorrhizal basidiomycetes

Meharg,Dennis,Cairney

, p. 513 - 521 (1997)

The ability of four ectomycorrhizal basidiomycetes to biotransform 2,4,6-trinitrotoluene (TNT) in axenic culture was tested. All species were capable of TNT biotransformation to a greater or lesser extent. When biotransformation was expressed on a biomass basis 4 out of the 5 isolates tested were equally efficient at transforming TNT. The factors regulating TNT biotransformation were investigated in detail for one fungus, Suillus variegatus. When the fungus was grown under nitrogen limiting conditions the rate of biotransformation decreased relative to nitrogen sufficient conditions, but no decrease was observed under short term carbon starvation. Extracellular enzymes of S. variegatus could transform TNT, but transformation was greater in intact cells. The mycelial cell wall fraction did not degrade TNT. The TNT concentration that caused 50% reduction in biomass (EC50) for S. variegatus was within the range observed for other basidiomycete fungi being between 2-10 μg mL-1. The potential use of ectomycorrhizal basidiomycetes as in-situ bioremediation agents for TNT contaminated soils is discussed.

The Stabilities of Meisenheimer Complexes. Part 21. Sulphite Additions to 2,4,6-Trinitrotoluene and 2,4,6-Trinitrobenzyl Chloride

Brooke, David N.,Crampton, Michael R.

, p. 1850 - 1853 (1980)

In aqueous sodium sulphite solutions, 2,4,6-trinitrotoluene and 2,4,6-trinitrobenzyl chloride give 1:1 and 1:2 adducts by addition at unsubstituted ring positions.Rate and equilibrium data for these reactions have been obtained by the stopped-flow method and are compared with similar data for other nitro-compounds.

Kinetics and Tunneling in the Proton- and Deuteron-Transfer Reaction between 2,4,6-Trinitrotoluene and 1,8-Diazabicycloundec-7-ene in Some Aprotic Solvents

Sugimoto, Naoki,Sasaki, Muneo,Osugi, Jiro

, p. 3418 - 3423 (1982)

The proton/deuteron-transfer reactions of 2,4,6-trinitrotoluene with 1,8-diazabicycloundec-7-ene in acetonitrile, 1,2-dichloroethane, and dichloromethane have been found to produce an ion pair.The reaction rates at 5-35 deg C of the proton- and deuteron-transfer reactions have been followed by a stopped-flow method.The reaction rate ratio kH/kD diminishes from 24.0 at 10 deg C to 18.3 at 30 deg C in acetonitrile and from 35.0 at 15 deg C to 27.1 at 30 deg C in 1,2-dichloroethane.The difference in the activation energies EaD - EaH is 2.3 and 2.1 kcal mol-1 in acetonitrile and 1,2-dichloroethane, respectively.The ratio of Arrhenius preexponential factors is 2.5 in acetonitrile and 2.0 in 1,2-dichloroethane.All these values are greater than the semiclassical limits which can be predicted since the primary kinetic isotope effect is brought about by loss of the zero-point energy difference between C-H and C-D bond at transition state.This remarkable isotope effect, when fitted to Bell's equation, indicates that there is a considerable contribution from proton tunneling.These results are discussed in comparison with those of other proton/deuteron-transfer reactions.

Application of [PVI-SO3H]NO3as a novel polymeric nitrating agent with ionic tags in preparation of high-energetic materials

Sepehrmansourie, Hassan,Zarei, Mahmoud,Zolfigol, Mohammad Ali,Mehrzad, Amin,Hafizi-Atabak, Hamid Reza

, p. 8367 - 8374 (2021)

In this paper, poly(vinyl imidazole) sulfonic acid nitrate [PVI-SO3H]NO3was synthesized and fully characterized. Then, [PVI-SO3H]NO3was applied for the preparation of energetic materials such as 1,1-diamino-2,2-dinitroethene (FOX-7), pentaerythritol tetranitrate (PETN), 1,3,5-trinitro-1,3,5-triazinane (RDX) and trinitrotoluene (TNT). The major advantages of the presented methodology are mild, facile workup, high yields and short reaction times. [PVI-SO3H]NO3is a suitable nitrating agent forin situgeneration of NO2and without using any co-catalysts of the described nitrating reagent.

Method for preparing TNT (Trinitrotoluene) by taking nitrotoluene as raw material through one-step method

-

Paragraph 0026; 0027, (2018/11/22)

The invention discloses a method for preparing TNT (Trinitrotoluene) by taking nitrotoluene as a raw material through a one-step method. According to the method disclosed by the invention, p-nitrotoluene or o-nitrotoluene is used as the raw material and a mixed system of fuming HNO3/concentrated H2SO4 is used as a nitrating agent, and 2,4,6-trinitrotoluene TNT is prepared through one-step nitrification reaction; the 2,4,6-trinitrotoluene TNT is subjected to structure characterization by adopting a melting point, thin-layer chromatography, mass spectrometry and liquid chromatography. Influences, caused by a ratio, a feeding manner and a dosage of the mixed system of the fuming HNO3/concentrated H2SO4, to the yield of a product are explored and reaction conditions are optimized. The TNT is synthesized by taking the nitrotoluene as the raw material through one-step nitrification, so that environment pollution caused by the fact that a lot of waste acid and red water are generated is avoided, and energy source and power consumption caused by reaction steps and nitrification equipment are reduced.

Process For Preparing High Purity TNT

-

Page/Page column 1-2, (2009/12/27)

A process for preparing trinitrololuene (TNT) in which toluene is treated with nitric acid having a concentration of about 90% to about 99%, and preferably about 98% to about 99%, by weight at a temperature of less than about 60° C., and preferably less than 30° C., to produce high purity dinitrotoluene. The resulting dinitrotoluene is then treated with nitric acid having a concentration of about 98% to about 99% by weight and trifluoromethane sulfuric acid to produce high purity TNT.

METHOD FOR PRODUCING DINITROTOLUENE

-

Page/Page column 9-11, (2008/06/13)

The invention relates to a method for producing dinitrotoluene, comprising the steps of a) reacting toluene with nitric acid in the presence of sulphuric acid to give mononitrotoluene, b) separating the reaction product of step a) into a mononitrotoluene-containing organic phase and a sulphuric acid-containing aqueous phase, c) reacting the mononitrotoluene-containing organic phase with nitric acid in the presence of sulphuric acid to give dinitrotoluene, d) separating the reaction product of step c) into a dinitrotoluene-containing organic phase and a sulphuric-acid containing aqueous phase, whereby the reaction product of step a) contains 3.0 to 8 wt. % of toluene, in relation to the organic phase, and 0.1 to 1.2 wt. % of nitric acid, in relation to the aqueous phase and the phase separation of step b) is carried out in such a manner that further reaction of toluene with nitric acid is prevented.