N10950

Nitrobenzene

ReagentPlus^®, 99%

• Empirical Formula (Hill Notation): C₆H₅NO₂
• CAS Number: 98-95-3
• Molecular Weight: 123.11
• Beilstein: 507540
• EC Number: 202-716-0
• MDL number: MFCD00007043
• UNSPSC Code: 12191501
• PubChem Substance ID: 329818483
• NACRES: NA.21

Properties

• vapor density: 4.2 (vs air)
• Quality Level: 100
• 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 %
• 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.)
• 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 compound that can be prepared by the nitration of benzene with nitric acid and sulfuric acid mixture. Reduced graphene oxide catalyzed reduction of nitrobenzene has been reported to form N-phenylhydroxylamine as an intermediate. 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.

Application

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

Legal Information

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

Safety Information

• Pictograms: GHS06,GHS08
• Signal Word: Danger
• Hazard Statements: H301 + H311 + H331,H351,H360F,H372,H412
• Precautionary Statements: 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 Code: 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