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N10950

Sigma-Aldrich

Nitrobenzene

ReagentPlus®, 99%

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Empirical Formula (Hill Notation):
C6H5NO2
CAS Number:
98-95-3
Molecular Weight:
123.11
Beilstein:
507540
EC Number:
202-716-0
MDL number:
MFCD00007043
PubChem Substance ID:
329818483
NACRES:
NA.21

vapor density

4.2 (vs air)

Quality Level

100

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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1 of 4

This Item
252379126632102369
Nitrobenzene ReagentPlus®, 99%

Sigma-Aldrich

N10950

Nitrobenzene

Nitrobenzene ACS reagent, ≥99.0%

Sigma-Aldrich

252379

Nitrobenzene

1,2-Dinitrobenzene 97%

Sigma-Aldrich

126632

1,2-Dinitrobenzene

1,4-Dinitrobenzene 98%

Sigma-Aldrich

102369

1,4-Dinitrobenzene

vapor pressure

0.15 mmHg ( 20 °C), 50 mmHg ( 120 °C)

vapor pressure

0.15 mmHg ( 20 °C), 50 mmHg ( 120 °C)

vapor pressure

-

vapor pressure

-

assay

99%

assay

≥99.0%

assay

97%

assay

98%

form

liquid

form

liquid

form

solid

form

-

autoignition temp.

899 °F

autoignition temp.

899 °F

autoignition temp.

-

autoignition temp.

-

expl. lim.

40 %

expl. lim.

40 %

expl. lim.

-

expl. lim.

-

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.

Legal Information

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

Pictograms

Skull and crossbonesHealth hazard
GHS06,GHS08

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

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Photodissociation dynamics of nitrobenzene and o-nitrotoluene.
Lin MF, et al.
J. Chem. Phys. , 126(6), 064310-064310 (2007)
Reduced graphene oxide as a catalyst for hydrogenation of nitrobenzene at room temperature.
Gao Y, et al.
Chemical Communications (Cambridge, England), 47(8), 2432-2434 (2011)
Nitrobenzene and Nitrotoluenes.
Dugal, M.
Kirk-Othmer Encyclopedia of Chemical Technology (2005)
Mechanistic Study of the Oxidative Carbonylation of Methanol Catalyzed by Palladium Diphosphane Complexes with Nitrobenzene as Oxidant.
Mooibroek TJ, et al.
European Journal of Inorganic Chemistry, 2012(9), 1403-1412 (2012)
Iwona Cybulska et al.
Bioresource technology, 118, 30-36 (2012-06-15)
Lignin extracted from prairie cordgrass, switchgrass, and corn stover (using ethyl acetate-ethanol-water organosolv pretreatment) was analyzed and characterized using several methods. These methods included analysis of purity (by determination of Klason lignin, carbohydrate, and ash contents), solubility (with several organic
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