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Merck
CN

45986

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

Key Documents

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InChI key

QZYHIOPPLUPUJF-UHFFFAOYSA-N

InChI

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

SMILES string

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

grade

analytical standard

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

Quality Level

100

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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.

signalword

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

WGK 3

flash_point_f

208.4 °F

flash_point_c

98 °C

ppe

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

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
BCBV0149

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Ultrasound-assisted magnetic solid-phase extraction based ionic liquid-coated Fe 3 O 4@ graphene for the determination of nitrobenzene compounds in environmental water samples
Cao X, et al.
Analyst, 139(8), 1938-1944 (2014)
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 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 P Chism et al.
Drug metabolism and disposition: the biological fate of chemicals, 13(6), 651-657 (1985-11-01)
2-Nitrotoluene (2NT) induces DNA repair in the in vivo-in vitro hepatocyte unscheduled DNA synthesis assay in male, but not female, Fischer-344 rats. 3-Nitrotoluene (3NT) and 4-nitrotoluene (4NT) are inactive in both sexes. The structurally related rat hepatocarcinogen, 2,6-dinitrotoluene, which also
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
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