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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)

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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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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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
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
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
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
D J Doolittle et al.
Cancer research, 43(6), 2836-2842 (1983-06-01)
The nitrotoluenes failed to induce unscheduled DNA synthesis in in vitro cultures of rat hepatocytes. Because intestinal bacteria are known to be involved in the metabolic activation of other nitroaromatic compounds, the genotoxicity of the nitrotoluenes was evaluated using an
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