23570

Chlorobenzene

puriss. p.a., ACS reagent, ≥99.5% (GC)

• Empirical Formula (Hill Notation): C₆H₅Cl
• CAS Number: 108-90-7
• Molecular Weight: 112.56
• Beilstein/REAXYS Number: 605632
• EC Number: 203-628-5
• MDL number: MFCD00000530
• UNSPSC Code: 12352101
• PubChem Substance ID: 329752430
• NACRES: NA.04
• assay: ≥99.5% (GC)
• technique(s): GC/GC: suitable
• bp: 132 °C (lit.)
• vapor pressure: 11.8 mmHg ( 25 °C)

Properties

• grade: ACS reagent; puriss. p.a.
• vapor density: 3.86 (vs air)
• vapor pressure: 11.8 mmHg ( 25 °C)
• assay: ≥99.5% (GC)
• form: liquid
• autoignition temp.: 1178 °F
• expl. lim.: 7.1 %
• technique(s): GC/GC: suitable
• impurities: ≤0.03% free acid (as CH₃COOH)
• evapn. residue: ≤0.003%
• refractive index: n20/D 1.524 (lit.); n20/D 1.525
• pH: 7
• bp: 132 °C (lit.)
• mp: −45 °C (lit.)
• density: 1.106 g/mL at 25 °C (lit.)
• cation traces: Al: ≤0.5 mg/kg; Ba: ≤0.1 mg/kg; Bi: ≤0.1 mg/kg; Ca: ≤0.5 mg/kg; Cd: ≤0.05 mg/kg; Co: ≤0.02 mg/kg; Cr: ≤0.02 mg/kg; Cu: ≤0.02 mg/kg; Fe: ≤0.1 mg/kg; K: ≤0.5 mg/kg; Li: ≤0.1 mg/kg; Mg: ≤0.1 mg/kg; Mn: ≤0.02 mg/kg; Mo: ≤0.1 mg/kg; Na: ≤0.5 mg/kg; Ni: ≤0.02 mg/kg; Pb: ≤0.1 mg/kg; Sr: ≤0.1 mg/kg; Zn: ≤0.1 mg/kg
• SMILES string: Clc1ccccc1
• InChI: 1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H
• InChI key: MVPPADPHJFYWMZ-UHFFFAOYSA-N

Description

General description

Chlorobenzene is an aromatic compound that can be used as a solvent, degreasing agent, and chemical intermediate in various industries. It can be synthesized by the chlorination of benzene[1].

Application

Chlorobenzene can be used as a solvent in the:

• Hydrosilylation of substituted benzaldehydes[2].
• Knoevenagel condensation of aldehydes and ketones with alkyl nitriles[3].

Safety Information

• pictograms: GHS02,GHS07,GHS09
• signalword: Warning
• hcodes: H226,H315,H332,H411
• pcodes: P210 - P233 - P240 - P273 - P303 + P361 + P353 - P304 + P340 + P312
• Hazard Classifications: Acute Tox. 4 Inhalation - Aquatic Chronic 2 - Flam. Liq. 3 - Skin Irrit. 2
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 2
• flash_point_f: 80.6 °F
• flash_point_c: 27 °C