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N27314

Sigma-Aldrich

3-Nitrotoluene

99%

Synonym(s):

1-Methyl-3-nitrobenzene

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About This Item

Linear Formula:
CH3C6H4NO2
CAS Number:
99-08-1
Molecular Weight:
137.14
Beilstein:
1906910
EC Number:
202-728-6
MDL number:
MFCD00007265
UNSPSC Code:
12352100
PubChem Substance ID:
24897588
NACRES:
NA.22

vapor density

4.73 (vs air)

Quality Level

100

vapor pressure

1 mmHg ( 50.2 °C)

Assay

99%

form

liquid

refractive index

n20/D 1.541 (lit.)

bp

230-231 °C (lit.)

mp

14-16 °C (lit.)

density

1.157 g/mL at 25 °C (lit.)

SMILES string

Cc1cccc(c1)[N+]([O-])=O

InChI

1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3

InChI key

QZYHIOPPLUPUJF-UHFFFAOYSA-N

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Related Categories

Signal Word

Warning

Hazard Statements

H302,H373,H411

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 2 - STOT RE 2

Storage Class Code

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 3

Flash Point(F)

208.4 °F

Flash Point(C)

98 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCW0752
MKCW9773
MKCW9826
MKCT9671
MKCR4216

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L E Hallas et al.
Applied and environmental microbiology, 45(4), 1234-1241 (1983-04-01)
The transformation of mono- and dinitroaromatic compounds was measured in sewage effluent maintained under aerobic or anaerobic conditions. Most of the nitrobenzene, 3- and 4-nitrobenzoic acids, and 3- and 4-nitrotoluenes and much of the 1,2- and 1,3-dinitrobenzenes disappeared both in
J B Robertson et al.
Applied and environmental microbiology, 58(8), 2643-2648 (1992-08-01)
Pseudomonas putida F1 and Pseudomonas sp. strain JS150 initiate toluene degradation by incorporating molecular oxygen into the aromatic nucleus to form cis-1,2-dihydroxy-3-methylcyclohexa-3,5-diene. When toluene-grown cells were incubated with 2- and 3-nitrotoluene, the major products identified were 2- and 3-nitrobenzyl alcohol
B E Haigler et al.
Applied and environmental microbiology, 60(9), 3466-3469 (1994-09-01)
A strain of Pseudomonas sp. was isolated from nitrobenzene-contaminated soil and groundwater on 2-nitrotoluene as the sole source of carbon, energy, and nitrogen. Bacterial cells growing on 2-nitrotoluene released nitrite into the growth medium. The isolate also grew on 3-methylcatechol
J Struijs et al.
The Science of the total environment, 57, 161-170 (1986-12-01)
The biodegradation of 2-, 3- and 4-nitrotoluene was investigated in a simple laboratory test. All three isomers are shown to be biodegradable in a die-away test after adaptation of the inoculum, though different results were obtained with different types of
D E Rickert et al.
Chemico-biological interactions, 52(2), 131-139 (1984-12-01)
The mononitrotoluenes are important industrial chemicals which display isomeric specificity in their ability to induce hepatic DNA excision repair in Fischer-344 rats. Covalent binding of the structurally related hepatocarcinogen, 2,6-dinitrotoluene, to hepatic DNA is markedly decreased by prior administration of
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