ChemicalBook > CAS DataBase List > 4-Nitrotoluene

4-Nitrotoluene

Product Name
4-Nitrotoluene
CAS No.
99-99-0
Chemical Name
4-Nitrotoluene
Synonyms
PNT;1-METHYL-4-NITROBENZENE;P-NITROTOLUENE;PARA NITRO TOLUENE;4-nitrobenzene;p-Nitrotoluene 5g [99-99-0];4NT;nci9579;NCI-C60537;4-Nitrotol
CBNumber
CB6287780
Molecular Formula
C7H7NO2
Formula Weight
137.14
MOL File
99-99-0.mol
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4-Nitrotoluene Property

Melting point:
52-54 °C (lit.)
Boiling point:
238 °C (lit.)
Density 
1.392 g/mL at 25 °C (lit.)
vapor density 
4.7 (vs air)
vapor pressure 
5 mm Hg ( 85 °C)
refractive index 
1.5382
Flash point:
223 °F
storage temp. 
2-8°C
solubility 
0.26g/l
form 
Crystalline Solid
pka
11.27 (Perrin, 1972)
Specific Gravity
1.392
color 
Yellow
explosive limit
1.6%(V)
Water Solubility 
0.35 g/L (20 ºC)
Merck 
14,6650
BRN 
1906911
Henry's Law Constant
5.64 at 25 °C (thermodynamic method-GC/UV spectrophotometry, Altschuh et al., 1999)
Dielectric constant
22.2（58.0℃）
Exposure limits
NIOSH REL: TWA 2 ppm (11 mg/m3), IDLH 200 ppm; OSHA PEL: TWA 5 ppm (30 mg/m3); ACGIH TLV: TWA 2 ppm (adopted).
Stability:
Stability May be shock sensitive. Incompatible with sulfuric acid, strong bases, reducing agents, strong oxidizing agents.
InChIKey
ZPTVNYMJQHSSEA-UHFFFAOYSA-N
LogP
2.37 at 25℃
CAS DataBase Reference
99-99-0(CAS DataBase Reference)
NIST Chemistry Reference
Benzene, 1-methyl-4-nitro-(99-99-0)
IARC
3 (Vol. 65) 1996
EPA Substance Registry System
p-Nitrotoluene (99-99-0)
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Safety

Hazard Codes 
T,N,F,Xn
Risk Statements 
23/24/25-33-51/53-36/37/38-11-36-20/21/22
Safety Statements 
28-37-45-61-28A-27-16-36/37-26
OEB
A
OEL
TWA: 2 ppm (11 mg/m3) [skin]
RIDADR 
UN 3446 6.1/PG 2
WGK Germany 
2
RTECS 
XT3325000
Autoignition Temperature
734 °F
TSCA 
Yes
HazardClass 
6.1
PackingGroup 
II
HS Code 
29042000
Hazardous Substances Data
99-99-0(Hazardous Substances Data)
Toxicity
LD50 orally in Rabbit: 1960 mg/kg LD50 dermal Rat > 16000 mg/kg
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H373May cause damage to organs through prolonged or repeated exposure

H411Toxic to aquatic life with long lasting effects

Precautionary statements

P273Avoid release to the environment.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

P314Get medical advice/attention if you feel unwell.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
N27322
Product name
4-Nitrotoluene
Purity
99%
Packaging
100g
Price
$35.5
Updated
2024/03/01
Sigma-Aldrich
Product number
N27322
Product name
4-Nitrotoluene
Purity
99%
Packaging
1kg
Price
$130
Updated
2024/03/01
Sigma-Aldrich
Product number
8.06807
Product name
4-Nitrotoluene
Purity
for synthesis
Packaging
100g
Price
$26.5
Updated
2022/05/15
Sigma-Aldrich
Product number
8.06807
Product name
4-Nitrotoluene
Purity
for synthesis
Packaging
1kg
Price
$76.1
Updated
2022/05/15
TCI Chemical
Product number
N0276
Product name
4-Nitrotoluene
Purity
>99.0%(GC)
Packaging
25g
Price
$22
Updated
2024/03/01
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4-Nitrotoluene Chemical Properties,Usage,Production

Chemical Properties

light yellow crystals

Chemical Properties

Nitrotoluene is formed in 3 isomeric forms. The o-and m-forms are yellow liquids or solids. The p-form is a pale yellow crystalline solid. All have weak aromatic odors. The Odor Thresholds are: 0.05 mg/L (o-isomer); 1.74 ppm (m-isomer).

Uses

used in the synthesis of dyestuffs, explosives, and agricultural chemicals

Uses

4-Nitrotoluene is an explosive material.

Uses

manufacture of dyes, toluidines, nitrobenzoic acids, agricultural and rubber chemicals.

Definition

ChEBI: 4-nitrotoluene is a mononitrotoluene that consists of toluene bearing a nitro substituent at the 4-position.

Production Methods

After distillation of the meta fraction from the isomer mixture, the still residues are cooled in a crystallizer to separate technical quality 4-nitrotoluene. Further distillation of nitrotoluene residues and fractions should be implemented with great care because this has been reported to cause explosions. 

Synthesis Reference(s)

Journal of the American Chemical Society, 79, p. 5528, 1957 DOI: 10.1021/ja01577a053
Tetrahedron Letters, 29, p. 97, 1988 DOI: 10.1016/0040-4039(88)80026-1

General Description

A yellow liquid with a weak aromatic odor. Toxic. Insoluble in water. Combustible but may take some effort to ignite. Produces toxic oxides of nitrogen when burned. In a spill, immediate steps should be taken to limit its spread to the environment. Can easily penetrate the soil and contaminate groundwater or nearby streams. Used to make other chemicals.

Air & Water Reactions

Insoluble in water.

Reactivity Profile

4-Nitrotoluene may react violently with sodium, tetranitromethane, strong oxidizing agents , sulfuric acid and other acids.

Hazard

Toxic by inhalation, ingestion, skin absorption. Methemoglobinemia. Questionable carcinogen.

Health Hazard

INHALATION, INGESTION, OR SKIN: Headache, flushed face, dizziness, dyspnea (difficult breathing), cyanosis, nausea, vomiting, muscular weakness, rapid pulse and respiration, irritability, and convulsions.

Fire Hazard

Special Hazards of Combustion Products: Yields toxic oxides of nitrogen when burning.

Safety Profile

A poison. Moderately toxic by ingestion, inhalation, and intraperitoneal routes. Mildly toxic by skin contact. Mutation data reported. Combustible when exposed to heat or flame. To fight fire, use CO2, dry chemical, foam. The residue from vacuum distillation may explode spontaneously. Reacts with sodmm to form an ignitable product. Violent reaction with concentrated sulfuric acid (above 16O°C), sulfuric acid + sulfur trioxide (above 52°C). Mixtures with tetranitromethane are sensitive high explosives. May explode on standing. It has been involved in plant scale explosions. When heated to decomposition it emits toxic fumes of NOx. See also other methylnitrobenzene entries and NITRO COMPOUNDS OF AROMATIC HYDROCARBONS.

Potential Exposure

The nitrotoluenes are used in the production of toluidines and other dye intermediates. All isomers are used in manufacture of agriculture and rubber chemicals and in various dyes.

Environmental Fate

Biological. Under anaerobic conditions using a sewage inoculum, 3- and 4-nitrotoluene both degraded to toluidine (Hallas and Alexander, 1983). Robertson et al. (1992) reported that toluene dioxygenases from Pseudomonas putida F1 and Pseudomonas sp. Strain JS 150 oxidized the methyl group forming 2-methyl-5-nitrophenol and 3-methyl-6-nitrocatechol.
Chemical. Though no products were identified, 4-nitrotoluene (1.5 x 10-5 M) was reduced by iron metal (33.3 g/L acid washed 18 to 20 mesh) in a carbonate buffer (1.5 x 10-2 M) at pH 5.9 and 15 °C. Based on the pseudo-first-order disappearance rate of 0.0335/min, the half-life was 20.7 min (Agrawal and Tratnyek, 1996).

Shipping

UN1664 Nitrotoluenes, (o-; m-; p-), Hazard Class: 6.1; Labels: 6.1-Poisonous materials.

Purification Methods

Dry it in air, then dry it in a vacuum desiccator over H2SO4. [Wright & Grilliom J Am Chem Soc 108 2340 1986, Beilstein 5 IV 848.]

Incompatibilities

Decomposes on contact with strong oxidizers; strong acids; reducing agents; strong bases; ammonia, amines producing toxic fumes, causing fire and explosion hazard. Heat above 190C may cause explosive decomposition. Attacks some plastics, rubbers, and coatings.

Waste Disposal

Controlled incineration-care must be taken to maintain complete combustion at all times. Incineration of large quantities may require scrubbers to control the emission of nitrogen oxides.

4-Nitrotoluene Preparation Products And Raw materials

Raw materials

Cooling fluid for automobile 2-Nitrotoluene Toluene Nitrotoluol Nitric acid 3-Nitrotoluene Sulfuric acid

Preparation Products

4,4'-Diamino-2,2'-stilbenedisulfonic acid 2,6-Dichlorobenzaldehyde 2-Nitrotoluene DIETHYL 2-(ACETAMINDO)-2-(2-METHYL-5-NITROBENZYL)MALONATE 4-Aminobenzaldehyde 4-Aminobenzotrifluoride 2-(Chloromethyl)-1-methyl-4-nitrobenzene Acid Green 28 Diethyl(acetylamino)((2-((bis(2-hydroxyethyl)amino)methyl)-5-nitrophenyl)methyl)propanedioate 2-Chloro-4-nitrobenzoic acid 3,4,5-Trimethoxybenzaldehyde 2-diethylaminoethyl 4-nitrobenzoate 4-Nitrobenzoic acid m-Toluidine 4-Nitrotoluene-2-sulfonic Acid 4-Nitrobenzyl bromide 3-Chloro-4-methylaniline 2,4-Diaminotoluene 4-Hydroxybenzaldehyde FUCHSIN BASIC 4-AMINO-N,N-DIMETHYLBENZYLAMINE 2,4-Dinitrotoluene 3-Nitrotoluene 2-Amino-4-chloro-5-methylbenzenesulfonic acid 4-Nitrobenzaldehyde p-Toluidine 3,4-Dimethylaniline DIETHYL 2-(ACETAMIDO)-2-(2-(BROMOMETHYL)-5-NITROBENZYL)MALONATE Diethyl(acetylamino)((2-((bis(2-chloroethyl)amino)methyl)-5-nitrophenyl)methyl)propanedioate Chlorotoluron 2-Chloro-4-nitrotoluene
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4-Nitrotoluene Suppliers

Americas 1 Belgium 3 China 205 Czech Republic 1 Denmark 1 Europe 4 France 3 Germany 13 India 44 Japan 5 Slovakia 1 Switzerland 2 The Netherlands 3 Ukraine 1 United Kingdom 14 United States 52 Global 353
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View Lastest Price from 4-Nitrotoluene manufacturers

Shanghai Xin Cheng Yue Chemical Co.,Ltd
Product
4- Nitrotoluene 99-99-0
Price
US $0.00/KG
Min. Order
1000KG
Purity
99.9
Supply Ability
100ton
Release date
2024-03-01
Hebei Weibang Biotechnology Co., Ltd
Product
4-Nitrotoluene 99-99-0
Price
US $10.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
10 mt
Release date
2024-12-04
Hebei Chuanghai Biotechnology Co,.LTD
Product
P-Nitrotoluene 99-99-0
Price
US $10.00/kg
Min. Order
1kg
Purity
98%
Supply Ability
10 ton
Release date
2024-08-09

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