8.01791

Chlorobenzene

for synthesis

• Synonym(s): Chlorobenzene, Phenyl chloride
• Empirical Formula (Hill Notation): C₆H₅Cl
• CAS Number: 108-90-7
• Molecular Weight: 112.56
• MDL number: MFCD00000530
• UNSPSC Code: 12352101
• EC Index Number: 203-628-5
• NACRES: NA.22
• Grade: synthesis grade
• Assay: ≥99% (GC)
• Bp: 132 °C/1013 hPa
• Vapor pressure: 12 hPa ( 20 °C)

Properties

• grade: synthesis grade
• Quality Level: 200
• vapor pressure: 12 hPa ( 20 °C)
• assay: ≥99% (GC)
• form: liquid
• autoignition temp.: 590 °C
• potency: 2000-4000 mg/kg LD₅₀, oral (Rat)
• expl. lim.: 1.3-11 % (v/v)
• dilution: (for synthesis)
• pH: 7 (20 °C)
• bp: 132 °C/1013 hPa
• mp: -45 °C
• transition temp: flash point 27 °C
• density: 1.11 g/cm³ at 20 °C
• Storage temp.: 2-30°C
• SMILES string: Clc1ccccc1
• InChI: 1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H
• InChI key: MVPPADPHJFYWMZ-UHFFFAOYSA-N

Description

General description

Chlorobenzeneis a colorless and flammable aromatic compound. In various industries,chlorobenzene is primarily used as a solvent, a degreasing agent, and as achemical intermediate.

Application

Chlorobenzene is used as a solvent:

• In the preparation of polyurethane-isophorone diisocyanate microcapsules by interfacial polymerization of polyurethane prepolymer.[1]
• To prepare new donor molecule LGC-D073 for organic solar cells which consist of a core (carbazole), a π-linker (DPP), andan end unit rhodanine.[2]

Analysis Note

Assay (GC, area%): ≥ 99.0 % (a/a)
Density (d 20 °C/ 4 °C): 1.105 - 1.107
Identity (IR): passes test

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