Skip to Content
MilliporeSigma
All Photos(2)

Key Documents

View All Documentation

N10950

Sigma-Aldrich

Nitrobenzene

ReagentPlus®, 99%

Sign Into View Organizational & Contract Pricing
All Photos(2)

About This Item

Empirical Formula (Hill Notation):
C6H5NO2
CAS Number:
98-95-3
Molecular Weight:
123.11
Beilstein/REAXYS Number:
507540
EC Number:
202-716-0
MDL number:
MFCD00007043
UNSPSC Code:
12191501
PubChem Substance ID:
329818483
NACRES:
NA.21
grade:
reagent
assay:
99%
bp:
210-211 °C (lit.)
vapor pressure:
0.15 mmHg ( 20 °C)
50 mmHg ( 120 °C)

grade

reagent

Quality Level

100

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 %

dilution

(for general lab use)

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

Looking for similar products? Visit Product Comparison Guide

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

signalword

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

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

wgk_germany

WGK 3

flash_point_f

190.4 °F - closed cup

flash_point_c

88 °C - closed cup

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
STBK4740
MKCP8028
STBJ7989
SHBL0510
STBH7311

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

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
View All Related Papers

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service