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252379

Nitrobenzene

Name: Nitrobenzene
Brand: SIGALD

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

NACRES:

NA.21

PubChem Substance ID:

329752784

eCl@ss:

39032002

UNSPSC Code:

12191501

EC Number:

202-716-0

MDL number:

MFCD00007043

Beilstein/REAXYS Number:

507540

Assay:

≥99.0%

Grade:

ACS reagent

Bp:

210-211 °C (lit.)

Vapor pressure:

0.15 mmHg ( 20 °C), 50 mmHg ( 120 °C)

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Properties

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

Description

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.

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pictograms

GHS06,GHS08

signalword

Danger

hcodes

H301 + H311 + H331,H351,H360F,H372,H412

pcodes

P202 - P273 - P280 - P301 + P310 - P302 + P352 + P312 - P304 + P340 + P311

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

WGK 3

flash_point_f

190.4 °F - closed cup

flash_point_c

88 °C - closed cup

Regulatory Information

危险化学品

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Eagleson M.

Concise Encyclopedia Chemistry, 112-112 (1994)

One pot synthesis of cyclohexanone oxime from nitrobenzene using a bifunctional catalyst.

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