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4-Nitrotoluene

CAS No.
99-99-0
Chemical Name:
4-Nitrotoluene
Synonyms
1-METHYL-4-NITROBENZENE;PNT;P-NITROTOLUENE;PARA NITRO TOLUENE;4-nitrobenzene;p-Nitrotoluene 5g [99-99-0];4-Nitrotoluol;4NT;p-Nitrotoluol;4-Nitrotoluene,>99%
CBNumber:
CB6287780
Molecular Formula:
C7H7NO2
Molecular Weight:
137.14
MDL Number:
MFCD00007366
MOL File:
99-99-0.mol
MSDS File:
SDS
TDS File:
TDS
Last updated:2026-08-25 20:17:46
Product description Number Pack Size Price
4-Nitrotoluene 99% N27322 100g $38.9
4-Nitrotoluene 99% N27322 1kg $143
4-Nitrotoluene for synthesis 8.06807 100g $26.5
4-Nitrotoluene for synthesis 8.06807 1kg $76.1
4-Nitrotoluene >99.0%(GC) N0276 25g $39
More product size

4-Nitrotoluene Properties

Melting point 52-54 °C (lit.)
Boiling point 238 °C (lit.)
Density 1.392 g/mL at 25 °C (lit.)
bulk density 700kg/m3
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)
Specific Heat Capacity Cp(crystal): 1.26 J/(g·K), at 25℃
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 ACGIH TLV-TWA:2 ppm (adopted)
OSHA PEL-TWA:5 ppm (30 mg/m³)
NIOSH REL-TWA:2 ppm;REL-IDLH:200 ppm
Stability Stability May be shock sensitive. Incompatible with sulfuric acid, strong bases, reducing agents, strong oxidizing agents.
InChI 1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3
InChIKey ZPTVNYMJQHSSEA-UHFFFAOYSA-N
SMILES Cc1ccc(cc1)[N+]([O-])=O
LogP 2.37 at 25℃
Toxicology and Carcinogenesis Toxicology and Carcinogenesis Studies of p-Nitrotoluene (CASRN 99-99-0) in F344/N Rats and B6C3F1 Mice (Feed Studies)
CAS DataBase Reference 99-99-0(CAS DataBase Reference)
EWG's Food Scores 4
FDA UNII E88IMG14EX
IARC 3 (Vol. 65) 1996
NIST Chemistry Reference Benzene, 1-methyl-4-nitro-(99-99-0)
EPA Substance Registry System p-Nitrotoluene (99-99-0)
UNSPSC Code 12352102
NACRES NA.22

SAFETY

Risk and Safety Statements

Symbol(GHS)  Skull and Crossbones (GHS06)Health Hazard (GHS08)Environment (GHS09)
GHS06,GHS08,GHS09
Signal word  Danger
Hazard statements  H330-H301+H311-H370-H373-H411
Precautionary statements  P501-P273-P260-P270-P271-P264-P280-P284-P391-P308+P311-P361+P364-P301+P310+P330-P302+P352+P312-P304+P340+P310-P403+P233-P405
PPE Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
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
RIDADR  UN 3446 (NITROTOLUENES, SOLID)
OEB A
OEL TWA: 2 ppm (11 mg/m3) [skin]
WGK Germany  2
RTECS  XT3325000
Autoignition Temperature 734 °F
TSCA  TSCA listed
HazardClass  6.1
PackingGroup  II
HS Code  29042000
Storage Class 6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
Hazard Classifications Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Aquatic Chronic 2
STOT RE 2
Hazardous Substances Data 99-99-0(Hazardous Substances Data)
Toxicity LD50 orally in Rabbit: 1960 mg/kg LD50 dermal Rat > 16000 mg/kg
REACH Registrations Active
NFPA 704
1
3 1

4-Nitrotoluene price More Price(29)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich N27322 4-Nitrotoluene 99% 99-99-0 100g $38.9 2026-04-30 Buy
Sigma-Aldrich N27322 4-Nitrotoluene 99% 99-99-0 1kg $143 2026-04-30 Buy
Sigma-Aldrich 8.06807 4-Nitrotoluene for synthesis 99-99-0 100g $26.5 2022-05-15 Buy
Sigma-Aldrich 8.06807 4-Nitrotoluene for synthesis 99-99-0 1kg $76.1 2022-05-15 Buy
TCI Chemical N0276 4-Nitrotoluene >99.0%(GC) 99-99-0 25g $39 2026-04-30 Buy
Product number Packaging Price Buy
N27322 100g $38.9 Buy
N27322 1kg $143 Buy
8.06807 100g $26.5 Buy
8.06807 1kg $76.1 Buy
N0276 25g $39 Buy

4-Nitrotoluene Chemical Properties,Uses,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.

Global( 383)Suppliers
Supplier Tel Email Country ProdList Advantage
Yixing Wencheng Chemical Co., Ltd
+86-0510-87501824 +86-13961572207 David@un-wencheng.com China 137 58
Hebei Chuanghai Biotechnology Co,.LTD
+86-86-13131129325 sales1@chuanghaibio.com China 5214 58
Henan Fengda Chemical Co., Ltd
+86-371-86557731 +86-13613820652 info@fdachem.com China 20111 58
Shanghai Xin Cheng Yue Chemical Co.,Ltd
+86-021-57806787 +86-17701820076 wuziwei@xinyuefirm.com China 31 58
Henan Tianfu Chemical Co.,Ltd.
+86-0371-55170693 +86-19937530512 info@tianfuchem.com China 21533 55
Hefei TNJ Chemical Industry Co.,Ltd.
+86-0551-65418679 +86-18949832763 info@tnjchem.com China 2984 55
career henan chemical co
+86-0371-86658258 sales@coreychem.com China 29766 58
SHANDONG ZHI SHANG CHEMICAL CO.LTD
0531-68652808 18953170293 sales@sdzschem.com China 2921 58
Xiamen AmoyChem Co., Ltd
+86-86-5926051114 sales@amoychem.com China 6339 58
CONIER CHEM AND PHARMA LIMITED
sales@conier.com China 49906 58

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