06084

Nitrobenzene

PESTANAL^®, analytical standard

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

Properties

• 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

Description

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

Safety Information

• 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_germany: 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