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3-Nitrotoluene

Product Name:
3-Nitrotoluene
CAS No.
99-08-1
Chemical Name:
3-Nitrotoluene
CBNumber:
CB7854761
Molecular Formula:
C7H7NO2
Formula Weight:
137.14
MOL File:
99-08-1.mol
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3-Nitrotoluene Property

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)
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)
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Safety

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
Hazardous Substances Data
99-08-1(Hazardous Substances Data)
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).
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N-Bromosuccinimide Price More Price(5)

Sigma-Aldrich Gold
Product number:
45986
Product name :
3-Nitrotoluene
Purity:
analytical standard
Packaging:
250mg
Price:
$29.2
Updated:
2020/08/18
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Sigma-Aldrich Gold
Product number:
N27314
Product name :
3-Nitrotoluene
Purity:
99%
Packaging:
100g
Price:
$32.3
Updated:
2020/08/18
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TCI Chemical Gold
Product number:
N0274
Product name :
3-Nitrotoluene
Purity:
>99.0%(GC)
Packaging:
25g
Price:
$24
Updated:
2020/06/24
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TCI Chemical Gold
Product number:
N0274
Product name :
3-Nitrotoluene
Purity:
>99.0%(GC)
Packaging:
500g
Price:
$108
Updated:
2020/06/24
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Buy
Sigma-Aldrich Gold
Product number:
47241
Product name :
3-Nitrotoluene solution
Purity:
1000 μg/mL in acetonitrile, analytical standard
Packaging:
47241
Price:
$31.2
Updated:
2018/11/23
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3-Nitrotoluene Chemical Properties,Usage,Production

Chemical Properties

yellow-green liquid

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

Clear, yellowish liquid with an aromatic odor. Odor threshold concentration is 600 ppm (quoted, Amoore and Hautala, 1983).

Uses

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

Uses

Organic synthesis.

Definition

ChEBI: 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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3-Nitrotoluene Suppliers

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