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88-72-2

Basic Information
CAS No.: 88-72-2
Name: Benzene,1-methyl-2-nitro-
Molecular Structure:
Molecular Structure of 88-72-2 (Benzene,1-methyl-2-nitro-)
Formula: C7H7NO2
Molecular Weight: 137.15
Synonyms: Toluene, o-nitro-;
EINECS: 201-853-3
Density: 1.163 g/cm3
Melting Point: -9 °C
Boiling Point: 221.999 °C at 760 mmHg
Flash Point: 106.111 °C
Solubility: 0.44 g/L (20 °C) in water
Appearance: light yellow to darker yellow-green liquid
Hazard Symbols: ToxicT,DangerousN,FlammableF
Risk Codes: 45-46-22-51/53-62-36/37/38-23/24/25-11
Safety: 53-45-61-27-16
Transport Information: UN 1664 6.1/PG 2
PSA: 45.82000
LogP: 2.42640
Synthetic route
3740-52-1

2-(2-nitrophenyl)acetic acid

88-72-2

1-methyl-2-nitrobenzene

Conditions
ConditionsYield
copper(I) oxide In acetonitrile at 50℃;100%
With [Rh(OH)(cod)]2; 1,3-bis-(diphenylphosphino)propane; water; sodium hydroxide In tetrahydrofuran at 90℃; for 24h; Inert atmosphere;81%
With potassium carbonate In chloroform at 20℃; for 24h; Irradiation; Inert atmosphere;75%
With copper diacetate; triethylamine at 35℃; for 21h; Sealed tube;26 %Spectr.
Multi-step reaction with 2 steps
1.1: sodium hydroxide / water / Inert atmosphere
1.2: 2 h / 110 °C / Inert atmosphere
2.1: sodium acetate / 22 h / 35 °C / Sealed tube
View Scheme
118310-98-8, 118353-84-7

Benzoic acid (1R,6R)-5-methyl-6-nitro-cyclohex-3-enyl ester

88-72-2

1-methyl-2-nitrobenzene

Conditions
ConditionsYield
With potassium tert-butylate In benzene95%
3958-60-9

2-nitrophenylmethyl bromide

A

16968-19-7

2,2'-dinitrobibenzyl

B

88-72-2

1-methyl-2-nitrobenzene

Conditions
ConditionsYield
With tetraethylammonium perchlorate In acetonitrile controlled-potential electrolysis; further solvent - DMFA.;A 95%
B 2%
With diisopropyl phosphite; sodium hydride In tetrahydrofuran for 3h; Ambient temperature;A 86%
B 4%
With (C2H5)NClO4 In acetonitrile Mechanism; Rate constant; Product distribution; electrolysis;
With N-ethyl-N,N-diisopropylamine In dichloromethane for 5h; Inert atmosphere; Irradiation;A 73 %Spectr.
B 14 %Spectr.
16419-60-6

2-Methylphenylboronic acid

88-72-2

1-methyl-2-nitrobenzene

Conditions
ConditionsYield
With N-Bromosuccinimide; [bis(trifluoroacetoxy)iodo]benzene; sodium nitrite In acetonitrile at 20℃; for 3h; regioselective reaction;90%
With bismuth (III) nitrate pentahydrate In toluene at 70 - 80℃; for 2h; Inert atmosphere;90%
With 1,1,1,3',3',3'-hexafluoro-propanol; N–nitrosaccharin at 60℃; for 19h; Reagent/catalyst; Inert atmosphere; Schlenk technique;82%
96-98-0

4-methyl-3-nitrobenzoic acid

88-72-2

1-methyl-2-nitrobenzene

Conditions
ConditionsYield
With sulfolane; sodium hydrogencarbonate at 200℃; for 2h;90%
108-88-3

toluene

A

99-99-0

1-methyl-4-nitrobenzene

B

88-72-2

1-methyl-2-nitrobenzene

Conditions
ConditionsYield
With nickel ammonium sulfate; nitric acid In chloroform; water at 20℃; for 4h;A 88%
B 12%
With sodium nitrite for 0.0166667h; Reagent/catalyst; Microwave irradiation;A 82%
B 15%
With bismuth(III) nitrate In tetrachloromethaneA 80%
B n/a
108-88-3

toluene

A

88-72-2

1-methyl-2-nitrobenzene

B

121-14-2

2,4-dinitrotoluene

Conditions
ConditionsYield
With nitric acid In neat (no solvent) at 90℃; for 4h; regioselective reaction;A 9 %Chromat.
B 88%
With nitric acid In hexane at 90℃; for 4h; regioselective reaction;A 63.5 %Chromat.
B 36.4 %Chromat.
108-88-3

toluene

A

99-99-0

1-methyl-4-nitrobenzene

B

88-72-2

1-methyl-2-nitrobenzene

C

65-85-0

benzoic acid

Conditions
ConditionsYield
With methanesulfonic acid; 1-butyl-3-methylimidazolium nitrate In water for 48h; Heating / reflux;A n/a
B n/a
C 85%
With nitric acid; 1-butyl-3-methylimidazolium nitrate In water for 48h; Heating / reflux;A n/a
B n/a
C 85%
With nitric acid; 1-n-butyl-3-methylimidazolium methanesulfonate In water for 48h; Heating / reflux;A n/a
B n/a
C 70%
With nitric acid; 1-n-butyl-3-methylimidazolium methanesulfonate In water for 48h; Heating / reflux;A n/a
B n/a
C 70%

C12H9N3O6S2

594-27-4

tetramethylstannane

88-72-2

1-methyl-2-nitrobenzene

Conditions
ConditionsYield
palladium diacetate In tetrahydrofuran at 40℃; for 3h;85%
594-27-4

tetramethylstannane

49732-37-8

2-Nitrobenzenediazonium Bisulfate

88-72-2

1-methyl-2-nitrobenzene

Conditions
ConditionsYield
palladium diacetate In water; acetonitrile at 20℃; for 2h;84%
With palladium diacetate In water; acetonitrile at 20℃; for 2h;72%
103240-13-7

(S)-(o-nitrobenzyl)-6-thioguanine

A

88-72-2

1-methyl-2-nitrobenzene

B

(o-aminobenzyl)-6-thioguanine

Conditions
ConditionsYield
With hydrogen; platinum(IV) oxide In ethanol under 1551.4 Torr; for 24h; Product distribution; effect of presence of morpholine;A n/a
B 80%
108-88-3

toluene

A

99-08-1

1-methyl-3-nitrobenzene

B

99-99-0

1-methyl-4-nitrobenzene

C

88-72-2

1-methyl-2-nitrobenzene

Conditions
ConditionsYield
With copper(II) nitrate on K10 montmorillonite; acetic anhydride In tetrachloromethane for 120h; Ambient temperature;A 1%
B 79%
C 20%
With nitric acid In trifluoroacetic acid at 25℃; Rate constant;A 0.7%
B 66.7%
C 32.6%
With ortho-methylphenyl iodide; potassium nitrate In trifluoroacetic acid for 0.5h; Product distribution; nitration of aromatic compounds in the presence of aryl iodides; other temperatures, other reagents;A n/a
B 64%
C 33%
190788-59-1

2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nitrobenzene

74-88-4

methyl iodide

88-72-2

1-methyl-2-nitrobenzene

Conditions
ConditionsYield
With C21H30ClNPPd; potassium tert-butylate In tert-Amyl alcohol at 65℃; for 18h; Sealed tube; Inert atmosphere; Glovebox;78%
10565-14-7

Diethyl 2-(2-nitrophenyl)propanedioate

88-72-2

1-methyl-2-nitrobenzene

Conditions
ConditionsYield
With magnesium chloride In N,N-dimethyl acetamide at 140 - 150℃; for 24h; Decarboxylation; Krapcho's reaction;77%
1809-20-7

diisopropyl hydrogenphosphonate

3958-60-9

2-nitrophenylmethyl bromide

A

16968-19-7

2,2'-dinitrobibenzyl

B

88-72-2

1-methyl-2-nitrobenzene

C

diisopropyl (2-nitrophenyl)methyl phosphonate

Conditions
ConditionsYield
With sodium hydride In isopropyl alcohol for 3h; Ambient temperature;A 74%
B 18%
C 6%
108-88-3

toluene

88-72-2

1-methyl-2-nitrobenzene

Conditions
ConditionsYield
With sulfuric acid; nitric acid at 70℃; for 2h;70%
With nitramide; sulfuric acid In water at -15 - -2℃; for 2.25h;18%
With sulfuric acid; nitric acid at 20℃;
17876-76-5

trimethyl(2-nitrobenzyl)silane

100-52-7

benzaldehyde

A

88-72-2

1-methyl-2-nitrobenzene

B

16764-13-9

α-phenyl-2-nitrophenethyl alcohol

Conditions
ConditionsYield
With hydrogenchloride; potassium fluoride; 18-crown-6 or silica-supported tetrabutylammonium fluoride In tetrahydrofuran at 20℃; for 12h; Yields of byproduct given;A n/a
B 70%
41252-98-6

2-iodo-6-nitrotoluene

88-72-2

1-methyl-2-nitrobenzene

Conditions
ConditionsYield
With palladium diacetate; caesium carbonate; triphenylphosphine; benzyl alcohol In 1,2-dimethoxyethane at 90℃; Inert atmosphere;70%

N-nitro-2,6-dimethylpyridinium tetrafluoroborate

108-88-3

toluene

A

99-08-1

1-methyl-3-nitrobenzene

B

99-99-0

1-methyl-4-nitrobenzene

C

88-72-2

1-methyl-2-nitrobenzene

Conditions
ConditionsYield
Product distribution; Ambient temperature;A 3%
B 32%
C 65%
17876-76-5

trimethyl(2-nitrobenzyl)silane

100-39-0

benzyl bromide

A

88-72-2

1-methyl-2-nitrobenzene

B

6796-01-6

1-nitro-2-phenethylbenzene

Conditions
ConditionsYield
With hydrogenchloride; potassium fluoride; 18-crown-6 or silica-supported tetrabutylammonium fluoride In tetrahydrofuran at 20℃; for 12h; Yields of byproduct given;A n/a
B 60%
544-97-8

dimethyl zinc(II)

88-73-3

2-Chloronitrobenzene

88-72-2

1-methyl-2-nitrobenzene

Conditions
ConditionsYield
(1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride In 1,4-dioxane for 3h; Heating;60%
41252-98-6

2-iodo-6-nitrotoluene

A

88-72-2

1-methyl-2-nitrobenzene

B

31354-19-5

2,2'-dimethyl-3,3'-dinitrobiphenyl

Conditions
ConditionsYield
With copper In N,N-dimethyl-formamide at 190℃; for 24h;A n/a
B 53%
108-88-3

toluene

A

99-99-0

1-methyl-4-nitrobenzene

B

88-72-2

1-methyl-2-nitrobenzene

C

121-14-2

2,4-dinitrotoluene

Conditions
ConditionsYield
With sulfuric acid; nitric acid at 20℃; for 0.00416667h;A 37.8%
B 52.2%
C 4.3%
With di-tert-butyl dicarbonate; nitric acid at 4℃; for 50h; Product distribution / selectivity;A 47%
B 45%
C 5.5%
With butanoic acid anhydride; nitric acid at 50℃; for 4h;

1-o-Nitrobenzyl-4-methylpyridinium bromide

A

108-89-4

picoline

B

16968-19-7

2,2'-dinitrobibenzyl

C

88-72-2

1-methyl-2-nitrobenzene

Conditions
ConditionsYield
With tetraethylammonium perchlorate In acetonitrile preparative electrolyse, - 0.89 V;A 52%
B n/a
C 18%

1-o-Nitrobenzyl-4-methylpyridinium bromide

A

108-89-4

picoline

B

88-72-2

1-methyl-2-nitrobenzene

Conditions
ConditionsYield
With tetraethylammonium perchlorate In acetonitrile at 20℃; Rate constant; electrolyse, -0.89 V;A 52%
B 18%
55289-35-5

2-bromo-6-nitrotoluene

88-72-2

1-methyl-2-nitrobenzene

Conditions
ConditionsYield
With 0.60mol% Pd/C; hydrogen; sodium hydrogencarbonate In methanol at 20℃; for 0.583333h; regioselective reaction;52%
3740-52-1

2-(2-nitrophenyl)acetic acid

A

88-72-2

1-methyl-2-nitrobenzene

B

552-89-6

2-nitro-benzaldehyde

Conditions
ConditionsYield
With oxygen; copper diacetate In dimethyl sulfoxide at 120℃; for 18h; Sealed tube;A 52%
B 46%
1316859-98-9

potassium 2-(2-nitrophenyl)acetate

(S)-5-(3-((tert-butyldimethylsilyl)oxy)propyl)-5-ethylcyclopent-1-en-1-yltrifluoromethanesulfonate

A

88-72-2

1-methyl-2-nitrobenzene

B

(S)-tert-butyl(3-(1-ethyl-2-(2-nitrobenzyl)cyclopent-2-en-1-yl)propoxy)dimethylsilane

Conditions
ConditionsYield
With bis(η3-allyl-μ-chloropalladium(II)); XPhos In diethylene glycol dimethyl ether at 140℃; for 2h; Inert atmosphere;A n/a
B 52%
88-72-2

1-methyl-2-nitrobenzene

3958-60-9

2-nitrophenylmethyl bromide

Conditions
ConditionsYield
With dihydrogen peroxide; bromine In dichloromethane; water for 4h; Reflux;100%
Stage #1: 1-methyl-2-nitrobenzene With 2,2'-azobis(isobutyronitrile) In 1,2-dichloro-ethane for 0.333333h;
Stage #2: With hydrogen bromide; dihydrogen peroxide In 1,2-dichloro-ethane at 72 - 75℃; for 2h; Solvent; Temperature;
98.5%
With sodium hypochlorite; 2,2'-azobis(isobutyronitrile); hydrogen bromide In chlorobenzene at 85℃; for 7h; Temperature; Solvent;97%
88-72-2

1-methyl-2-nitrobenzene

95-53-4

o-toluidine

Conditions
ConditionsYield
With hydrogen; palladium In methanol at 25℃; under 2327.2 Torr; for 1.5h;100%
With hydrogen; Pd in AV-17-8-Pd In ethanol at 40℃;100%
With hydrogen; Pd in AV-17-8-Pd In ethanol at 40℃; under 760 Torr; Rate constant;100%
88-72-2

1-methyl-2-nitrobenzene

956-31-0, 51284-68-5, 116723-89-8

N,N'-Di-o-tolyl-diazene N-oxide

Conditions
ConditionsYield
With bismuth for 1.5h;100%
With sodium tetrahydroborate; water In ethanol at 30℃; for 6h; chemoselective reaction;92%
With oxygen; ammonium chloride; zinc In [bmim][BF4]; water at 20℃; for 18h;88%
109-74-0

propyl cyanide

88-72-2

1-methyl-2-nitrobenzene

7277-86-3

N-butyl-2-methylaniline

Conditions
ConditionsYield
Stage #1: 1-methyl-2-nitrobenzene With ammonium formate; palladium on activated charcoal In methanol; water at 20℃; for 4.5h;
Stage #2: propyl cyanide In methanol; water
100%
88-72-2

1-methyl-2-nitrobenzene

107-12-0

propiononitrile

83627-55-8

2-methyl-N-propylaniline

Conditions
ConditionsYield
Stage #1: 1-methyl-2-nitrobenzene With ammonium formate; palladium on activated charcoal In methanol; water at 20℃;
Stage #2: propiononitrile In methanol; water
100%
88-72-2

1-methyl-2-nitrobenzene

95-92-1

oxalic acid diethyl ester

3740-52-1

2-(2-nitrophenyl)acetic acid

Conditions
ConditionsYield
Stage #1: 1-methyl-2-nitrobenzene; oxalic acid diethyl ester With sodium In ethanol at 20 - 45℃; for 3h;
Stage #2: With water In ethanol at 60℃; for 1h; Reagent/catalyst;
99.8%
Stage #1: 1-methyl-2-nitrobenzene; oxalic acid diethyl ester With sodium In ethanol at 45℃; for 3h;
Stage #2: With water In ethanol at 60℃; for 1h;
99.8%
50-00-0

formaldehyd

88-72-2

1-methyl-2-nitrobenzene

15121-84-3

2-nitro-benzeneethanol

Conditions
ConditionsYield
With sodium hydroxide In water; dimethyl sulfoxide at 50℃; for 1h; Large scale reaction;99.5%
64%
With potassium hydroxide In water; dimethyl sulfoxide at 0℃; for 5h;46%
88-72-2

1-methyl-2-nitrobenzene

10542-55-9

nitrobenzotrichloride

Conditions
ConditionsYield
With chlorine at 120℃; for 6h; Temperature;99.2%
88-72-2

1-methyl-2-nitrobenzene

611-22-3

N-(o-tolyl)hydroxylamine

Conditions
ConditionsYield
With hydrazine hydrate In ethanol; water; 1,2-dichloro-ethane at 45℃; for 2h; Catalytic behavior; Temperature;99%
With hydrazine hydrate In ethanol; dichloromethane at 0 - 2℃; for 6h; Solvent; Temperature;91.8%
With sodium tetrahydroborate; palladium diacetate In ethanol; dichloromethane; water at 20℃; for 0.133333h;84%
88-72-2

1-methyl-2-nitrobenzene

636-21-5

o-toluidine hydrochloride

Conditions
ConditionsYield
Stage #1: 1-methyl-2-nitrobenzene With hydrogen In ethanol at 25℃; under 11172.7 Torr; Flow reactor;
Stage #2: With hydrogenchloride In ethanol Flow reactor; chemoselective reaction;
99%
With hydrogenchloride; tin(ll) chloride In ethanol; water at 30℃; Rate constant; Mechanism; various concentration of HCl; different amounts of H2O as solvent;
Stage #1: 1-methyl-2-nitrobenzene With phosgene; sodium tetrahydroborate; copper(II) sulfate In methanol at 20℃;
Stage #2: With hydrogenchloride In methanol; diethyl ether
545 mg
88-72-2

1-methyl-2-nitrobenzene

106-49-0

p-toluidine

34160-14-0

N-(4-methylphenyl)-2-methylaniline

Conditions
ConditionsYield
With bis(acetylacetonato)palladium(II); potassium phosphate tribasic trihydrate; 2-(2,6-diethyl-4-methylphenyl)-5-(2,4,6-triisopropylphenyl)imidazo[1,5-a]pyridin-2-ium chloride In 1,4-dioxane at 130℃; for 24h; Inert atmosphere;99%
88-72-2

1-methyl-2-nitrobenzene

4-methyl-3-nitrobenzenesulfonic acid,sodium salt

Conditions
ConditionsYield
Stage #1: 1-methyl-2-nitrobenzene With chlorosulfonic acid at 115℃; for 4h;
Stage #2: With sodium carbonate In water at 20℃;
98.6%
88-72-2

1-methyl-2-nitrobenzene

4637-24-5

N,N-dimethyl-formamide dimethyl acetal

32991-03-0

trans-β-dimethylamino-2-nitrostyrene

Conditions
ConditionsYield
With copper(l) iodide; N,N-dimethyl-formamide at 180℃; under 6000.6 - 7500.75 Torr; for 2h; microwave irradiation;98%
In N,N-dimethyl-formamide at 140℃; for 24h;88%
In N,N-dimethyl-formamide for 26h; Heating;86%
88-72-2

1-methyl-2-nitrobenzene

121-14-2

2,4-dinitrotoluene

Conditions
ConditionsYield
With nitric acid; acetic anhydride at 50℃; for 4h;97%
bei der Nitrierung;
With Nitroethane; boron trifluoride-dinitrogen tetraoxide
76-18-6

2-Chloro-F-propane

88-72-2

1-methyl-2-nitrobenzene

238098-38-9

heptafluoroisopropyl-3-methyl-4-nitrobenzene

Conditions
ConditionsYield
With hydrogen fluoride; antimony pentafluoride at 80℃; for 2h; Friedel-Crafts Alkylation; Autoclave; Industrial scale;97%
88-72-2

1-methyl-2-nitrobenzene

100-52-7

benzaldehyde

5405-13-0

N-benzyl-2-methylaniline

Conditions
ConditionsYield
With hydrogen In toluene at 80℃; under 15001.5 Torr; for 18h; Autoclave;96%
With formic acid; Au/TiO2-R In water at 80℃; under 760.051 Torr; for 9h; Inert atmosphere; Green chemistry; chemoselective reaction;91%
With hydrogen In methanol at 20℃; under 760.051 Torr; for 6h;88%
64-18-6

formic acid

88-72-2

1-methyl-2-nitrobenzene

94-69-9

2'-methylformanilide

Conditions
ConditionsYield
With gold nano particles supported on rutile TiO2 In toluene at 70℃; under 750.075 Torr; for 3.5h; Inert atmosphere; chemoselective reaction;96%
With palladium(II) trifluoroacetate; triphenylphosphine In water at 80℃; for 0.333333h; Sealed tube; Green chemistry;80%
With palladium particles distributed over the surface of fibrous silica nanospheres modified via aminopropyltriethoxysilane In toluene at 70℃; for 3h;96 %Chromat.
88-72-2

1-methyl-2-nitrobenzene

529-23-7

2-aminobenzaldehyde

Conditions
ConditionsYield
With 2,3,4,5,7,8,9,10-octahydropyrimido[1,2-a]azepin-1-ium acetate In methanol at 60℃; for 3h; Temperature; Solvent;95.9%
67-56-1

methanol

88-72-2

1-methyl-2-nitrobenzene

108-95-2

phenol

41317-15-1

4-phenylamino-3-methyl-1-methoxybenzene

Conditions
ConditionsYield
Stage #1: methanol; 1-methyl-2-nitrobenzene With 3 % platinum on carbon; hydrogen In water at 50℃; under 750.075 Torr; for 8h; Autoclave; Inert atmosphere;
Stage #2: phenol With 3 % platinum on carbon In cyclohexanone at 250℃; under 7500.75 Torr; for 2h; Autoclave; Inert atmosphere;
95.4%
88-72-2

1-methyl-2-nitrobenzene

16968-19-7

2,2'-dinitrobibenzyl

Conditions
ConditionsYield
Stage #1: 1-methyl-2-nitrobenzene With potassium tert-butylate In tetrahydrofuran at 0℃; for 0.0333333h; Inert atmosphere;
Stage #2: With bromine In tetrahydrofuran at 20℃; for 0.0833333h; Inert atmosphere;
95%
With 5-chloro-1-methyl-1H-pyrazole-4-carbaldehyde; potassium hydroxide In N,N-dimethyl-formamide at 120℃; for 2h; Inert atmosphere;88%
With sodium; formic acid ethyl ester In hexane at 0 - 5℃; for 24h;70.4%
88-72-2

1-methyl-2-nitrobenzene

552-16-9

ortho-nitrobenzoic acid

Conditions
ConditionsYield
With ruthenium trichloride; sodium hypochlorite; tetrabutylammomium bromide In 1,2-dichloro-ethane at 25℃; for 2h; Rate constant; pH 9;95%
With ruthenium trichloride; sodium hypochlorite; tetrabutylammomium bromide In 1,2-dichloro-ethane at 25℃; for 2h;95%
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; trichloroisocyanuric acid; sodium bromide at 40℃; for 12h; Temperature;94.2%
88-72-2

1-methyl-2-nitrobenzene

4637-24-5

N,N-dimethyl-formamide dimethyl acetal

20973-67-5

N,N-dimethyl-2-(2-nitrophenyl)ethenylamine

Conditions
ConditionsYield
In chloroform; N,N-dimethyl-formamide at 175℃; under 11251.1 Torr; for 2h; Solvent; Temperature; Pressure;95%
In N,N-dimethyl-formamide at 175℃; under 3750.38 Torr; for 2h;91%
In N,N-dimethyl-formamide for 26h; Heating;86%
88-72-2

1-methyl-2-nitrobenzene

108-24-7

acetic anhydride

120-66-1

N-(2-methylphenyl)acetamide

Conditions
ConditionsYield
Stage #1: 1-methyl-2-nitrobenzene With sodium tetrahydroborate In water at 60 - 70℃; Green chemistry;
Stage #2: acetic anhydride In water at 60 - 70℃; Green chemistry;
95%
Stage #1: 1-methyl-2-nitrobenzene In water for 0.0833333h;
Stage #2: With sodium tetrahydroborate In water at 65℃; for 0.05h;
Stage #3: acetic anhydride In water at 65℃; for 0.0333333h; Catalytic behavior;
95%
With sodium tetrahydroborate at 60℃; for 0.15h;93%
With samarium; acetic acid In methanol at 20℃; for 1.5h;88%
88-72-2

1-methyl-2-nitrobenzene

A

121-14-2

2,4-dinitrotoluene

B

606-20-2

2,6-dinitrotoluene

Conditions
ConditionsYield
With nitric acid; Chloroacetic anhydride at 50℃; for 4h;A 94%
B 5%
With dinitrogen pentoxide; H-faujasite zeolite F-712 In dichloromethaneA 77%
B 15%
With nitric acid at 50℃; for 3h;A 71.5%
B 28.5%
88-72-2

1-methyl-2-nitrobenzene

552-89-6

2-nitro-benzaldehyde

Conditions
ConditionsYield
With nickel-doped graphene carbon nitride nanoparticles; air In ethanol at 25℃; for 8h; Irradiation; Green chemistry;94%
Stage #1: 1-methyl-2-nitrobenzene With bromine In propan-1-ol at 20℃; for 0.25h; UV-irradiation;
Stage #2: With sodium hydrogencarbonate In propan-1-ol for 2h; Solvent; Reflux; UV-irradiation;
89%
With oxygen In acetonitrile at 20℃; for 12h; Irradiation;80%
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  • High purity 2-Nitrotoluene 98% TOP1 supplier in China

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    English name: 2-Nitrotoluene Synonyms:2-Methyl-1-nitrobenzene; 2-Methylnitrobenzene; o-Nitrophenylmethane; 2-Nitrotoluol; alpha-Methylnitrobenz… CAS No. 88-72-2 1.We have been specializing in special fine chemical for long, with strong

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    2-Nitrotoluene

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    2-Ntritoluene

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    o-Nitrotoluene

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    Benzene,1-methyl-2-nitro-

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    Anthranilamide

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Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

OSHA PEL: TWA 2 ppm (skin)
ACGIH TLV: TWA 2 ppm (skin)
DFG MAK: Animal Carcinogen, Suspected Human Carcinogen
DOT Classification:  6.1; Label: Poison

Analytical Methods

For occupational chemical analysis use NIOSH: Nitrobenzenes 2005.

Specification

The 2-Nitrotoluene, also known as Toluene, o-nitro-, is an organic compound with the formula C7H7NO2. It belongs to the product categories of Intermediates of Dyes and Pigments; 2-MethyInitrobenzene; Organics; 8000 Series Solidwaste Methods; Analytical Standards; Aromatics Environmental Standards; Chemical Class; Environmental Standards; ExplosivesEPA; Method 8330Alphabetic; N; NA - NIAnalytical Standards; Nitro Compounds Chromatography; Solid WasteMore...Close...;Volatiles/ Semivolatiles. Its EINECS registry number is 201-853-3. With the CAS registry number 88-72-2, its IUPAC name is 1-methyl-2-nitrobenzene. It is a pale yellow liquid with a subtle, characteristic smell. It is non-hygroscopic and noncorrosive.

Physical properties of 2-Nitrotoluene: (1)ACD/LogP: 2.39; (2)ACD/LogD (pH 5.5): 2.39; (3)ACD/LogD (pH 7.4): 2.39; (4)ACD/BCF (pH 5.5): 38.61; (5)ACD/BCF (pH 7.4): 38.61; (6)ACD/KOC (pH 5.5): 475.745; (7)ACD/KOC (pH 7.4): 475.745; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.553; (11)Molar Refractivity: 37.623 cm3; (12)Molar Volume: 117.55 cm3; (13)Surface Tension: 42.65 dyne/cm; (14)Density: 1.167 g/cm3; (15)Flash Point: 106.111 °C; (16)Enthalpy of Vaporization: 43.979 kJ/mol; (17)Boiling Point: 221.999 °C at 760 mmHg; (18)Vapour Pressure: 0.155 mmHg at 25°C.

Preparation: this chemical can be prepared by methylbenzene. This reaction will need reagent mixed acid.

C6H5CH3 + HNO→ C7H7NO2 + H2O

Uses of 2-Nitrotoluene: Typical use of it is in production of pigments, antioxidants, agricultural chemicals, and photographic chemicals. What's more, it can be also used as detection taggants for explosive detection.

When you are using this chemical, please be cautious about it as the following:
This chemical that at low levels can cause damage to health. It may present an immediate or delayed danger to one or more components of the environment. In addition, it is irritating to eyes, respiratory system and skin. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC=CC=C1[N+](=O)[O-]
(2)InChI: InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3
(3)InChIKey: PLAZTCDQAHEYBI-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 328mg/m3 (328mg/m3) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

LIVER: FATTY LIVER DEGERATION

BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 22(7), Pg. 52, 1978.
mouse LD50 oral 970mg/kg (970mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 25(8), Pg. 50, 1981.
rabbit LD50 oral 1750mg/kg (1750mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

LIVER: FATTY LIVER DEGERATION

BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 22(7), Pg. 52, 1978.
rat LC50 inhalation 790mg/m3 (790mg/m3) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

LIVER: FATTY LIVER DEGERATION

BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 22(7), Pg. 52, 1978.
rat LD50 oral 891mg/kg (891mg/kg)   National Technical Information Service. Vol. PB214-270,