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N10950

Sigma-Aldrich

Nitrobenzene

ReagentPlus®, 99%

Empirical Formula (Hill Notation):
C6H5NO2
CAS Number:
Molecular Weight:
123.11
Beilstein:
507540
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.21

Quality Level

vapor density

4.2 (vs air)

vapor pressure

0.15 mmHg ( 20 °C)
50 mmHg ( 120 °C)

product line

ReagentPlus®

assay

99%

form

liquid

autoignition temp.

899 °F

expl. lim.

40 %

refractive index

n20/D 1.551 (lit.)

pH

8-8.5 (20 °C, 1 g/L)

bp

210-211 °C (lit.)

mp

5-6 °C (lit.)

density

1.196 g/mL at 25 °C (lit.)

SMILES string

[O-][N+](=O)c1ccccc1

InChI

1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H

InChI key

LQNUZADURLCDLV-UHFFFAOYSA-N

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General description

Nitrobenzene is an aromatic compound that can be prepared by the nitration of benzene with nitric acid and sulfuric acid mixture. Reduced graphene oxide catalyzed reduction of nitrobenzene has been reported to form N-phenylhydroxylamine as an intermediate. The ability of nitrobenzene to cause DNA damage has been assessed in tobacco by single-cell gel electrophoresis (SCGE). The mechanism of photolysis of nitrobenzene has been reported.

Application

Nitrobenzene may be used as an oxidizing agent in the oxidative carbonylation of methanol in the presence of palladium diphosphane complexes.

Packaging

1, 4 L in glass bottle
18 L in steel drum

Legal Information

ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Pictograms

Skull and crossbonesHealth hazard

Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Chronic 3 - Carc. 2 - Repr. 1B - STOT RE 1 Inhalation

Target Organs

Blood

Storage Class Code

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

WGK

WGK 3

Flash Point(F)

190.4 °F

Flash Point(C)

88 °C

Certificate of Analysis

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Certificate of Origin

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