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Merck
CN

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:
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
Assay:
≥99.0%
Bp:
210-211 °C (lit.)
Vapor pressure:
0.15 mmHg ( 20 °C)
50 mmHg ( 120 °C)

Key Documents

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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 %

dilution

(for analytical testing)

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.
Our premium ACS solvents are ideal for routine chemical synthesis, drying, purification, and critical labware cleaning. They meet or exceed the rigorous standards of the American Chemical Society (ACS), ensuring high-quality results for your research needs.

Premium ACS Solvents: Our solvents meet or exceed the stringent standards set by the American Chemical Society, ensuring high quality and reliability for your laboratory applications.

Replicable and Publishable Results: Designed for consistency, our solvents deliver results that can be reliably reproduced, making them ideal for research that requires publication.

Versatile Applications: Suitable for routine chemical synthesis, drying, purification, and critical labware cleaning, our solvents cater to a wide range of research needs in the laboratory.

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

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

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKCW5272
MKCT7653
MKCK4267
SHBJ3622
SHBG5577V

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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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