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N10950

Sigma-Aldrich

Nitrobenzene

ReagentPlus®, 99%

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About This Item

Empirical Formula (Hill Notation):
C6H5NO2
CAS Number:
98-95-3
Molecular Weight:
123.11
Beilstein:
507540
EC Number:
202-716-0
MDL number:
MFCD00007043
UNSPSC Code:
12191501
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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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 Merck KGaA, Darmstadt, Germany

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 - closed cup

Flash Point(C)

88 °C - closed cup

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Aniline for synthesis

Sigma-Aldrich

8.22256

Aniline

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)
Photodissociation dynamics of nitrobenzene and o-nitrotoluene.
Lin MF, et al.
J. Chem. Phys. , 126(6), 064310-064310 (2007)
Nitrobenzene and Nitrotoluenes.
Dugal, M.
Kirk-Othmer Encyclopedia of Chemical Technology (2005)
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)
R Emmanuel et al.
Journal of hazardous materials, 279, 117-124 (2014-07-23)
The present study involves a green synthesis of gold nanoparticles (Au-NPs) using Acacia nilotica twig bark extract at room temperature and trace level detection of one of the hazardous materials, viz. nitrobenzene (NB) that causes Methemoglobinaemia. The synthesis protocol demonstrates
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