CAS No.99-99-0,4-Nitrotoluene Suppliers,MSDS download

Products Categories

Pharmaceutical (20)
Organic Chemicals (11)
Adhesive and Sealant (2)
Agrochemicals (1)
Others (1)
Catalyst and Auxiliary (1)
Dyestuff and Pigment (1)

Basic Information

Molecular Structure:
CAS No.:	99-99-0
Name:	4-Nitrotoluene
Article Data:	439

Formula:	C₇H₇NO₂
Molecular Weight:	137.138
Synonyms:	Toluene,p-nitro- (8CI);1-Methyl-4-nitrobenzene;4-Methyl-1-nitrobenzene;4-Methylnitrobenzene;4-Nitrotoluene;4-Nitrotoluol;NSC 9579;p-Methylnitrobenzene;p-Nitrotoluene;para-Nitrotoluene;
EINECS:	202-808-0
Density:	1.166 g/cm³
Melting Point:	51-54 °C
Boiling Point:	238 °C at 760 mmHg
Flash Point:	106.1 °C
Solubility:	water: 0.35 g/L (20 °C)
Appearance:	light yellow crystals
Hazard Symbols:	T; F; N
Risk Codes:	23/24/25-33-51/53-36/37/38-11
Safety:	28-37-45-61-27-16
Transport Information:	UN 3446 6.1/PG 2
PSA:	45.82000
LogP:	2.42640

Related products

999-97-3Hexamethyldisilazane

Synthetic route

: 104-03-0
4-nitrobenzeneacetic acid

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

Conditions

Conditions	Yield
copper(I) oxide In acetonitrile at 50℃;	100%
With [Rh(OH)(cod)]2; 1,3-bis-(diphenylphosphino)propane; water; sodium hydroxide In toluene at 100℃; for 16h; Inert atmosphere;	87%
With potassium carbonate In chloroform at 20℃; for 24h; Irradiation; Inert atmosphere;	81%

: 636-98-6
p-nitrobenzene iodide

(CH3)4Sn: (CH3)4Sn

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

Conditions

Conditions	Yield
polymer supported palladium catalyst In N,N,N,N,N,N-hexamethylphosphoric triamide at 70℃; for 1h; Stille coupling reaction;	100%

: 4-nitrobenzenediazonium o-benzenedisulfonimide

: 594-27-4
tetramethylstannane

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

Conditions

Conditions	Yield
palladium diacetate In tetrahydrofuran at 40℃; for 0.5h;	100%

: 100-14-1
4-nitrobenzyl chloride

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

Conditions

Conditions	Yield
With sodium tetrahydroborate; cetyltributylphosphonium bromide In water; toluene at 40℃; for 0h; Product distribution;	99%
With phosphonic Acid; iodine In benzene at 100℃; for 36h; Inert atmosphere;	42%
With tri-n-butyl-tin hydride; 2,2'-azobis(isobutyronitrile) In toluene for 3h; Mechanism; Irradiation;	24%

: 100-11-8
1-bromomethyl-4-nitro-benzene

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

Conditions

Conditions	Yield
With sodium tetrahydroborate; cetyltributylphosphonium bromide In water; toluene at 18℃; for 0h; Product distribution;	99%
With sodium tetrahydroborate In aq. phosphate buffer at 70℃; for 2.5h; pH=12; Reagent/catalyst; Green chemistry;	95%
With sodium tetrahydroborate In various solvent(s) at 70℃; for 10h;	88%

: potassium (4-methylphenyl)trifluoroborate

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

Conditions

Conditions	Yield
With bismuth (III) nitrate pentahydrate In toluene at 120℃; for 0.333333h; Reagent/catalyst; Microwave irradiation;	99%
With sodium dihydrogen phosphate monohydrate; dichloro[1,1'-bis(di-t-butylphosphino)ferrocene]palladium(II); sodium nitrite In toluene at 120℃; for 0.5h; Microwave irradiation; Inert atmosphere;	33%

: 106-49-0
p-toluidine

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

Conditions

Conditions	Yield
With calcium tungstate; dihydrogen peroxide In water at 50℃; for 0.5h; Reagent/catalyst; Green chemistry; Large scale;	98%
With oxaziridinium tetrafluoroborate derived from N-methyl-1,2,3,4-tetrahydroisoquinoline In dichloromethane at 0℃; for 10h;	92%
With 1,9-diperoxynonanedioic acid In acetonitrile at 50℃; for 0.5h;	92%

: 636-98-6
p-nitrobenzene iodide

: 594-27-4
tetramethylstannane

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

Conditions

Conditions	Yield
With C31H33INPPd In N,N-dimethyl-formamide at 80℃; for 24h; Stille coupling;	98%
With iodophenylbis(triphenylphosphine)palladium In N,N,N,N,N,N-hexamethylphosphoric triamide at 70℃; for 0.5h;	87%

: 108-88-3
toluene

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

Conditions

Conditions	Yield
With sodium nitrate In neat (no solvent) at 20℃; for 0.05h; Catalytic behavior; Reagent/catalyst; Green chemistry;	96%
With nitric acid; sodium dodecyl-sulfate In water at 25℃; for 0.333333h; Micellar solution; Green chemistry; regioselective reaction;	86%
With tetrammine copper(II) sulphate; nitric acid In dichloromethane; water at 20℃; for 3h; regioselective reaction;	85%

: 2-methyl-5-nitrobenzenediazonium o-benzenedisulfonimide

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

Conditions

Conditions	Yield
With dihydrogen peroxide In tetrahydrofuran for 0.166667h; Heating;	94%

Country:
- China (Mainland)(35)
- United Kingdom(2)
Business Type:
All

Lab/Research institutions

Trading Company

Manufacturers

Other
Certificate:
Manufacturer

Enterprise Authentication

ISO

GMP

FDA

HALAL

Display:default sort
Suppiers of more reward points first

New supplier

Total:32 Page 1 of 1 1

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 99-99-0

Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

OSHA PEL: TWA 2 ppm (skin)
ACGIH TLV: TWA 2 ppm (skin)
DFG MAK: 5 ppm (28 mg/m³)
DOT Classification: 6.1; Label: Poison

Analytical Methods

For occupational chemical analysis use NIOSH: Nitrobenzenes 2005.

Specification

The p-Nitrotoluene with CAS registry number of 99-99-0 is also known as 4-Nnitrophenylmethane. The IUPAC name is 1-Methyl-4-nitrobenzene. It belongs to product categories of 4-Methylnitrobenzene; Organics; Analytical Chemistry; Environmental Endocrine Disruptors; Estradiol, etc. (Environmental Endocrine Disruptors); Solid WasteMethod Specific; 2000/60/ECMore...Close...; 8000 Series Solidwaste Methods; Analytical Standards; AromaticsEnvironmental Standards; Chemical Class; Environmental Standards; European Community: ISO and DIN; ExplosivesEPA;Method 8330Alphabetic; N; NA - NIAnalytical Standards; Nitro CompoundsChromatography; Volatiles/ Semivolatiles. Its EINECS registry number is 202-808-0. In addition, the formula is C₇H₇NO₂ and the molecular weight is 137.14. This chemical is light yellow crystal and should be stored in sealed containers in cool and dry place away from oxidizers, acids and so on.

Physical properties about p-Nitrotoluene are: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.41; (4)ACD/LogD (pH 7.4): 2.41; (5)ACD/BCF (pH 5.5): 39.85; (6)ACD/BCF (pH 7.4): 39.85; (7)ACD/KOC (pH 5.5): 486.59; (8)ACD/KOC (pH 7.4): 486.59; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.553; (13)Molar Refractivity: 37.62 cm³; (14)Molar Volume: 117.5 cm³; (15)Surface Tension: 42.6 dyne/cm; (16)Density: 1.166 g/cm³; (17)Flash Point: 106.1 °C; (18)Enthalpy of Vaporization: 45.56 kJ/mol; (19)Boiling Point: 238 °C at 760 mmHg; (20)Vapour Pressure: 0.0669 mmHg at 25 °C.

Preparation of p-Nitrotoluene: it is prepared by reaction of toluene with mixed acid (nitric acid 25% to 30%, 55% to 58% sulfuric acid and water 20% to 21%). Nitrobenzene is separated, washed, caustic washed. At last, the crude nitrotoluene is vacuum distillated and the product is obtained by vacuum distillation, cooling and crystallization.

C₆H₅CH₃+HNO₃→C₇H₇NO₂+H₂O

Uses of p-Nitrotoluene: it is used in manufacture of aniline, toluene diisocyanate, and also used as pesticide, dye, pharmaceutical, plastics additive and synthetic intermediate. Besides, it is used to prepare 2-chloro-4-nitro-toluene. The reaction needs reagents Cl₂O, H₂SO4 and solvent CCl₄. The yield is about 99%.

p-Nitrotoluene is used to prepare 2-chloro-4-nitro-toluene.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. Besides, it is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment and it is highly flammable. During using it, wear suitable gloves and avoid release to the environment. Keep away from sources of ignition. After using it, take off immediately all contaminated clothing. In case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
1. SMILES: O=[N+]([O-])c1ccc(C)cc1
2. InChI: InChI=1/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3
3. InChIKey: ZPTVNYMJQHSSEA-UHFFFAOYAU

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LC50	inhalation	419mg/m³ (419mg/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	1231mg/kg (1231mg/kg)		National Technical Information Service. Vol. PB214-270,
rabbit	LD50	oral	1750mg/kg (1750mg/kg)	BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN LIVER: FATTY LIVER DEGERATION	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 22(7), Pg. 52, 1978.
rat	LC50	inhalation	975mg/m³ (975mg/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	intraperitoneal	940mg/kg (940mg/kg)	BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: CYANOSIS LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 24(9), Pg. 15, 1959.
rat	LD50	oral	1960mg/kg (1960mg/kg)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 25(8), Pg. 50, 1981.
rat	LD50	skin	> 16gm/kg (16000mg/kg)	LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES LIVER: FATTY LIVER DEGERATION	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 24(9), Pg. 15, 1959.