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HomeProduct name list3-Nitrotoluene

3-Nitrotoluene

Synonym(s):1-Methyl-3-nitrobenzene

  • CAS NO.:99-08-1
  • Empirical Formula: C7H7NO2
  • Molecular Weight: 137.14
  • MDL number: MFCD00007265
  • EINECS: 202-728-6
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-12-18 14:08:57
3-Nitrotoluene Structural

What is 3-Nitrotoluene?

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).

Physical properties

3-Nitrotoluene is a light yellow oily liquid with a nitrobenzene-like odor. The relative density is 1.1571, the melting point is 16°C, and the boiling point is 230-231°C. Almost insoluble in water, soluble in ethanol, ether, chloroform and benzene. Can volatilize with water vapor.

The Uses of 3-Nitrotoluene

3-Nitrotoluene is mainly used in organic synthesis as an intermediate for pesticides, dyes, explosives, medicines, color developers, plastics, synthetic fibers and auxiliaries.

Definition

ChEBI: 3-nitrotoluene is a mononitrotoluene carrying a nitro group at position 3.

Preparation

3-Nitrotoluene is obtained by fractional distillation and purification after nitration of toluene with mixed acid below 50℃. Toluene nitration can get different products with different reaction conditions and catalysts, such as o-nitrotoluene, p-nitrotoluene, m-nitrotoluene, 2,4-dinitrotoluene and 2,4,6-trinitrotoluene Toluene etc.

What are the applications of Application

Catalytic hydrogenation or reduction with iron converts 3-nitrotoluene to m-toluidine, which provides important coupling components for azo dyes, usually after N-alkylation.

General Description

Yellow crystals that melt at 59°F to a yellow liquid. Often therefore encountered as a liquid. Flash point 223°F. Boiling point 450°F. Insoluble in water. Toxic by inhalation and ingestion.

Air & Water Reactions

Insoluble in water.

Reactivity Profile

3-Nitrotoluene reacts with sulfuric acid, strong oxidizing agents and reducing agents.

Hazard

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

Health Hazard

INHALATION, INGESTION OR SKIN ABSORPTION: Headache, flushing of face, dizziness, difficult breathing, cyanosis, nausea, vomiting, muscular weakness, increased pulse and respiratory rate, irritability and convulsions. EYES: Slight irrita- tion. SKIN: Slight irritation.

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-nitrotoluene 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 3-nitrobenzyl alcohol.

Shipping

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

Purification Methods

Dry 3-nitrotoluene over P2O5 for 24hours, then fractionally distil it under reduced pressure. [Clark & Taylor Org. Synth Coll Vol I 415 1941, Beilstein 5 IV 847.]

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.

Properties of 3-Nitrotoluene

Melting point: 15 °C
Boiling point: 230-231 °C(lit.)
Density  1.157 g/mL at 25 °C(lit.)
vapor density  4.73 (vs air)
vapor pressure  1 mm Hg ( 50.2 °C)
refractive index  n20/D 1.541(lit.)
Flash point: 215 °F
storage temp.  2-8°C
solubility  0.419g/l
form  Liquid
color  Clear yellow to yellow-brownish
explosive limit 2.2%(V)
Water Solubility  insoluble
Merck  14,6650
BRN  1906910
Henry's Law Constant 9.31 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).
Dielectric constant 23.800000000000001
Stability: Stable. Combustible. Incompatible with reducing agents, strong oxidizing agents, strong bases.
CAS DataBase Reference 99-08-1(CAS DataBase Reference)
NIST Chemistry Reference Benzene, 1-methyl-3-nitro-(99-08-1)
IARC 3 (Vol. 65) 1996
EPA Substance Registry System m-Nitrotoluene (99-08-1)

Safety information for 3-Nitrotoluene

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
ghs
Health Hazard
GHS08
ghs
Environment
GHS09
GHS Hazard Statements H302:Acute toxicity,oral
H373:Specific target organ toxicity, repeated exposure
H411:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P273:Avoid release to the environment.
P314:Get medical advice/attention if you feel unwell.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

Computed Descriptors for 3-Nitrotoluene

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