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4-Nitrotoluene

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4-Nitrotoluene Basic information

Product Name:
4-Nitrotoluene
CAS:
99-99-0
MF:
C7H7NO2
MW:
137.14
EINECS:
202-808-0
Mol File:
99-99-0.mol
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4-Nitrotoluene Chemical Properties

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. 
0-6°C
solubility 
0.26g/l
form 
Crystalline Solid
pka
11.27 (Perrin, 1972)
color 
Yellow
Specific Gravity
1.392
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)
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
CAS DataBase Reference
99-99-0(CAS DataBase Reference)
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)
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Safety Information

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 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

MSDS

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4-Nitrotoluene Usage And Synthesis

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

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

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.

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