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252379

Sigma-Aldrich

Nitrobenzene

ACS reagent, ≥99.0%

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

grade

ACS reagent

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

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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 - 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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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
Eagleson M.
Concise Encyclopedia Chemistry, 327-327 (1994)
Eagleson M.
Concise Encyclopedia Chemistry, 112-112 (1994)
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)
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