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06084

Supelco

Nitrobenzene

PESTANAL®, analytical standard

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

grade

analytical standard

Quality Level

100

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

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 a carcinogenic compound which has been employed extensively in dyes, pesticides and explosives industries.

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.

Legal Information

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

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

Flash Point(C)

88 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

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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)
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)
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
Wataru Kosaka et al.
Chemical communications (Cambridge, England), 49(16), 1594-1596 (2012-11-24)
A porous one-dimensional coordination chain compound, [Ru(2)(p-F-PhCO(2))(4)(phz)] (; p-F-PhCO(2)(-) = para-fluorobenzoate; phz = phenazine) derived by drying its nitrobenzene-solvated compound, specifically adsorbs CO(2) at 195 K in a stepwise sorption manner.
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