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Merck
CN

06084

Nitrobenzene

PESTANAL®, analytical standard

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About This Item

Empirical Formula (Hill Notation):
C6H5NO2
CAS Number:
98-95-3
Molecular Weight:
123.11
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329748209
EC Number:
202-716-0
Beilstein/REAXYS Number:
507540
MDL number:
MFCD00007043

Key Documents

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Product Name

Nitrobenzene, PESTANAL®, analytical standard

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

grade

analytical standard

vapor density

4.2 (vs air)

vapor pressure

0.15 mmHg ( 20 °C)
50 mmHg ( 120 °C)

product line

PESTANAL®

assay

≥99.0% (GC)

autoignition temp.

899 °F

shelf life

limited shelf life, expiry date on the label

expl. lim.

40 %

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

refractive index

n20/D 1.551 (lit.)
n20/D 1.552

bp

210-211 °C (lit.)

mp

5-6 °C (lit.)

density

1.196 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
environmental
flavors and fragrances
food and beverages
personal care

format

neat

Quality Level

100

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Application

Nitrobenzene may be used as a reference standard for the analysis of nitrobenzene in soil by gas chromatography (GC) with electron capture detector (ECD) as well as high performance liquid chromatography (HPLC) with ultraviolet (UV) detector and in marine water samples from German Bight by GC coupled to mass spectrometer (MS). It may be used as a reference standard for the determination of nitrobenzene in cigarette smoke by solid phase extraction (SPE) followed by analysis using heart-cutting two-dimensional GC equipped with ECDs.

General description

Nitrobenzene is a carcinogenic compound which has been employed extensively in dyes, pesticides and explosives industries.
This compound is listed in the SVHC (Substances of very high concern) candidate list of ECHA (European Chemicals Agency)

Legal Information

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

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

WGK 3

flash_point_f

190.4 °F - closed cup

flash_point_c

88 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
BCCN8095
BCCK4190
BCCC2705
BCCB0542
BCBV2080

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Determination of seven nitrobenzene compounds in mainstream cigarette smoke with heart-cutting two-dimensional gas chromatography.
Xie F, et al.
Journal of Chromatographic Science, 50(5), 387-392 (2012)
Determination of nitroaromatic, nitramine, and nitrate ester explosives in soil by gas chromatography and an electron capture detector.
Walsh, Marianne E
Talanta, 54(3), 427-438 (2001)
New method for rapid solid-phase extraction of large-volume water samples and its application to non-target screening of North Sea water for organic contaminants by gas chromatography-mass spectrometry.
Weigel S, et al.
Journal of Chromatography A, 912(1), 151-161 (2001)
Yang Mu et al.
Chemosphere, 54(7), 789-794 (2003-11-26)
The reductive degradation of nitrobenzene (NB) by zero-valent iron was investigated. Experimental results showed that the degradation of NB was influenced by pH and NB concentration. The optimum pH value was found to be 3.0 for the reductive degradation of
R Emmanuel et al.
Journal of hazardous materials, 279, 117-124 (2014-07-23)
The present study involves a green synthesis of gold nanoparticles (Au-NPs) using Acacia nilotica twig bark extract at room temperature and trace level detection of one of the hazardous materials, viz. nitrobenzene (NB) that causes Methemoglobinaemia. The synthesis protocol demonstrates
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