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Supelco

3-Nitrotoluene

analytical standard

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/REAXYS Number:
1906910
EC Number:
202-728-6
MDL number:
MFCD00007265
UNSPSC Code:
41116107
PubChem Substance ID:
329757039
NACRES:
NA.24

grade

analytical standard

Quality Level

100

vapor density

4.73 (vs air)

vapor pressure

1 mmHg ( 50.2 °C)

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

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.)

application(s)

environmental

format

neat

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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General description

3-Nitrotoluene is an organic compound belonging to the class of nitrobenzenes. It is encountered in forensic science and is widely used as raw material and intermediaries in dyes, rubber chemicals, pharmaceuticals and pesticides.

Application

3-Nitrotoluene may be used as an analytical reference standard for the quantification of the analyte in post-blast debris samples and water samples using chromatography techniques.
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

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Warning

Hazard Classifications

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

Storage Class

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

wgk_germany

WGK 3

flash_point_f

208.4 °F

flash_point_c

98 °C

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
BCBV0149
SZB9286XV
SZE9286X
5067X
8233X

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Highly sensitive screening method for nitroaromatic, nitramine and nitrate ester explosives by high performance liquid chromatography?atmospheric pressure ionization-mass spectrometry (HPLC-API-MS) in forensic applications
Xu X, et al.
Journal of Forensic Sciences, 49(6) (2004)
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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