Skip to Content
MilliporeSigma
All Photos(2)

Documents

252379

Sigma-Aldrich

Nitrobenzene

ACS reagent, ≥99.0%

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:
12352300
eCl@ss:
39032002
PubChem Substance ID:
329752784
NACRES:
NA.21

grade

ACS reagent

Quality Level

200

vapor density

4.2 (vs air)

vapor pressure

0.15 mmHg ( 20 °C)
50 mmHg ( 120 °C)

assay

≥99.0%

form

liquid

autoignition temp.

899 °F

expl. lim.

40 %

impurities

≤0.0005 meq/g water-soluble titr. acid

evapn. residue

≤0.005%

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.)

anion traces

chloride (Cl-): ≤5 ppm

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 nitro compound. It is mainly used as a starting material to produce aniline. It is also used in the manufacture of pharmaceuticals, dyes, and polymers. Additionally, nitrobenzene is also employed as a solvent in organic synthesis, especially for electrophilic reagents.

Application

Nitrobenzene can be used as a reactant to synthesize aniline by selective hydrogenation reaction using Ru/SBA-15 catalyst.

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

flash_point_c

88 °C

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’.

Already Own This Product?

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

Visit the Document Library

Customers Also Viewed

Slide 1 of 5

1 of 5

1,3-Dinitrobenzene 97% anhydrous basis

Sigma-Aldrich

D194255

1,3-Dinitrobenzene

Nitrobenzene-d5 99.5 atom % D

Sigma-Aldrich

151955

Nitrobenzene-d5

4-Nitrotoluene 99%

Sigma-Aldrich

N27322

4-Nitrotoluene

tert-Butylbenzene 99%

Sigma-Aldrich

B90602

tert-Butylbenzene

Nitromethane ReagentPlus®, ≥99.0%

Sigma-Aldrich

230731

Nitromethane

Eagleson M.
Concise Encyclopedia Chemistry, 327-327 (1994)
Eagleson M.
Concise Encyclopedia Chemistry, 112-112 (1994)
Paula Rubio-Marqués et al.
Chemical communications (Cambridge, England), 50(14), 1645-1647 (2013-11-26)
Cyclohexanone oxime is formed from nitrobenzene with 97% yield in a one-pot reaction catalysed by palladium and gold nanoparticles on carbon. The reaction is carried out under hydrogen at 60 °C and the overall transformation involves a multi-step catalysed mechanism
Stephen W T Price et al.
Angewandte Chemie (International ed. in English), 54(34), 9886-9889 (2015-07-04)
Heterogeneous catalysis performed in the liquid phase is an important type of catalytic process which is rarely studied in situ. Using microfocus X-ray fluorescence and X-ray diffraction computed tomography (μ-XRF-CT, μ-XRD-CT) in combination with X-ray absorption near-edge spectroscopy (XANES), we have
Eagleson M.
Concise Encyclopedia Chemistry, 696-696 (1994)
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