N10950

Nitrobenzene

Name: Nitrobenzene
Brand: SIGALD

ReagentPlus^®, 99%

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About This Item

Empirical Formula (Hill Notation):

C₆H₅NO₂

CAS Number:

98-95-3

Molecular Weight:

123.11

UNSPSC Code:

12191501

NACRES:

NA.21

PubChem Substance ID:

329818483

EC Number:

202-716-0

Beilstein/REAXYS Number:

507540

MDL number:

MFCD00007043

Assay:

99%

Bp:

210-211 °C (lit.)

Vapor pressure:

0.15 mmHg ( 20 °C)
50 mmHg ( 120 °C)

Key Documents

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Product Name

Nitrobenzene, ReagentPlus^®, 99%

InChI key

LQNUZADURLCDLV-UHFFFAOYSA-N

InChI

1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H

SMILES string

[O-][N+](=O)c1ccccc1

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.)

Quality Level

100

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This Item	252379	06084	PHR3498
Sigma-Aldrich N10950 Nitrobenzene	Sigma-Aldrich 252379 Nitrobenzene	Supelco 06084 Nitrobenzene	Supelco PHR3498 Nitrobenzene
assay 99%	assay ≥99.0%	assay ≥99.0% (GC)	assay -
Quality Level 100	Quality Level 200	Quality Level 100	Quality Level 300
form liquid	form liquid	form -	form liquid
vapor pressure 0.15 mmHg ( 20 °C), 50 mmHg ( 120 °C)	vapor pressure 0.15 mmHg ( 20 °C), 50 mmHg ( 120 °C)	vapor pressure 0.15 mmHg ( 20 °C), 50 mmHg ( 120 °C)	vapor pressure -
autoignition temp. 899 °F	autoignition temp. 899 °F	autoignition temp. 899 °F	autoignition temp. -
bp 210-211 °C (lit.)	bp 210-211 °C (lit.)	bp 210-211 °C (lit.)	bp -

Application

Nitrobenzene may be used as an oxidizing agent in the oxidative carbonylation of methanol in the presence of palladium diphosphane complexes.[1]

General description

Nitrobenzene is an aromatic compound that can be prepared by the nitration of benzene with nitric acid and sulfuric acid mixture.[2] Reduced graphene oxide catalyzed reduction of nitrobenzene has been reported to form N-phenylhydroxylamine as an intermediate.[3] 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.[4]

Legal Information

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany

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

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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)

Photodissociation dynamics of nitrobenzene and o-nitrotoluene.

Lin MF, et al.

J. Chem. Phys. , 126(6), 064310-064310 (2007)

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)

Nitrobenzene and Nitrotoluenes.

Dugal, M.

Kirk-Othmer Encyclopedia of Chemical Technology (2005)

A GIS-based generic real-time risk assessment framework and decision tools for chemical spills in the river basin.

Jiping Jiang et al.

Journal of hazardous materials, 227-228, 280-291 (2012-06-06)

This paper presents a generic framework and decision tools of real-time risk assessment on Emergency Environmental Decision Support System for response to chemical spills in river basin. The generic "4-step-3-model" framework is able to delineate the warning area and the

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