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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

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Daniel Meyer et al.
Applied and environmental microbiology, 71(11), 6624-6632 (2005-11-05)
Escherichia coli JM101(pSPZ3), containing xylene monooxygenase (XMO) from Pseudomonas putida mt-2, catalyzes specific oxidations and reductions of m-nitrotoluene and derivatives thereof. In addition to reactions catalyzed by XMO, we focused on biotransformations by native enzymes of the E. coli host
J K Dunnick et al.
Fundamental and applied toxicology : official journal of the Society of Toxicology, 22(3), 411-421 (1994-04-01)
Nitrotoluenes are high-production-volume chemicals used in the synthesis of agricultural chemicals and in various dyes. Because of differences in the metabolism of the three isomers and their capabilities to bind to DNA, comparative toxicity studies of o-, m-, and p-nitrotoluene
Muhammad Shariq Vohra et al.
Water research, 36(1), 59-64 (2002-01-05)
TiO2-mediated photocatalytic degradation process was employed to treat aqueous 2-, 3- and 4-NT (nitrotoluene) pollutants. The NT disappearance and TOC removal rates for three isomers showed no significant differences. Three hydroxylated aromatic intermediates resulting from the photocatalytic degradation of 4-NT
J P Chism et al.
Drug metabolism and disposition: the biological fate of chemicals, 12(5), 596-602 (1984-09-01)
The metabolism and excretion of 2-, 3-, and 4-nitrotoluene (2NT, 3NT, and 4NT, respectively) were studied in male Fischer 344 rats. Excreta were collected for 72 hr after an oral dose (200 mg/kg) of radiolabeled 2NT, 3NT, or 4NT. Radiolabel
J D deBethizy et al.
Drug metabolism and disposition: the biological fate of chemicals, 12(1), 45-50 (1984-01-01)
2-Nitrotoluene (2NT), but not 3-nitrotoluene (3NT) or 4-nitrotoluene (4NT), is genotoxic in the in vivo-in vitro hepatic DNA repair assay. These differences in genotoxicity may be due to hepatic metabolism. For this reason, the metabolism of the nitrotoluenes was compared
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