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3-Nitrotoluene

CAS No.
99-08-1
Chemical Name:
3-Nitrotoluene
Synonyms
MNT;3NT;MAD6;MXD6;nsc9578;3-Nitrotol;99-08-1 MNT;3-Nitrotoluol;m-Nitrotoluol;m-nitro-toluen
CBNumber:
CB7854761
Molecular Formula:
C7H7NO2
Molecular Weight:
137.14
MDL Number:
MFCD00007265
MOL File:
99-08-1.mol
MSDS File:
SDS
Modify Date:
2022-08-15 17:38:52

3-Nitrotoluene Properties

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).
Stability Stable. Combustible. Incompatible with reducing agents, strong oxidizing agents, strong bases.
CAS DataBase Reference 99-08-1(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII 29A9W826KQ
IARC 3 (Vol. 65) 1996
NIST Chemistry Reference Benzene, 1-methyl-3-nitro-(99-08-1)
EPA Substance Registry System m-Nitrotoluene (99-08-1)

SAFETY

Risk and Safety Statements

Symbol(GHS) 
GHS07,GHS08,GHS09
Signal word  Warning
Hazard statements  H302-H373-H411
Precautionary statements  P260-P264-P270-P273-P301+P312-P314
Hazard Codes  T,F,Xn
Risk Statements  23/24/25-33-51/53-36/37/38-11-36-20/21/22
Safety Statements  36/37-45-61-37-28A-27-16-26
RIDADR  UN 1664 6.1/PG 2
WGK Germany  2
RTECS  XT2975000
TSCA  Yes
HazardClass  6.1
PackingGroup  II
HS Code  29042000
Toxicity Acute oral LD50 for guinea pigs 3,600 mg/kg, mice 330 mg/kg, rats 1,072 mg/kg, rabbits 2,400 (quoted, RTECS, 1985).
NFPA 704
1
3 1

3-Nitrotoluene price More Price(13)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich N27314 3-Nitrotoluene 99% 99-08-1 100g $35.6 2022-05-15 Buy
TCI Chemical N0274 3-Nitrotoluene >99.0%(GC) 99-08-1 25g $26 2022-04-27 Buy
TCI Chemical N0274 3-Nitrotoluene >99.0%(GC) 99-08-1 500g $111 2022-04-27 Buy
AK Scientific G246 m-Nitrotoluene 99-08-1 500g $147 2021-12-16 Buy
Matrix Scientific 139778 3-Nitrotoluene 95%+ 99-08-1 2.500g $215 2021-12-16 Buy
Product number Packaging Price Buy
N27314 100g $35.6 Buy
N0274 25g $26 Buy
N0274 500g $111 Buy
G246 500g $147 Buy
139778 2.500g $215 Buy

3-Nitrotoluene Chemical Properties,Uses,Production

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.

Uses

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

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.

Definition

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

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.

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