252379

Nitrobenzene

ACS reagent, ≥99.0%

• 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
• eCl@ss: 39032002
• PubChem Substance ID: 329752784
• NACRES: NA.21

Properties

• grade: ACS reagent
• vapor density: 4.2 (vs air)
• vapor pressure: 0.15 mmHg ( 20 °C); 50 mmHg ( 120 °C)
• Assay: ≥99.0%
• form: liquid
• autoignition temp.: 899 °F
• expl. lim.: 40 %
• impurities: ≤0.0005 meq/g water-soluble titr. acid
• evapn. residue: ≤0.005%
• 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.)
• anion traces: chloride (Cl^-): ≤5 ppm
• 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 nitro compound. It is mainly used as a starting material to produce aniline. It is also used in the manufacture of pharmaceuticals, dyes, and polymers. Additionally, nitrobenzene is also employed as a solvent in organic synthesis, especially for electrophilic reagents.

Application

Nitrobenzene can be used as a reactant to synthesize aniline by selective hydrogenation reaction using Ru/SBA-15 catalyst.

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