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8.01791

Chlorobenzene

for synthesis

Synonym(s):

Chlorobenzene, Phenyl chloride

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About This Item

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

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.
  • 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.

Analysis Note

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

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Warning

Hazard Classifications

Acute Tox. 4 Inhalation - Aquatic Chronic 2 - Flam. Liq. 3 - Skin Irrit. 2

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

80.6 °F

flash_point_c

27 °C

Regulatory Information

危险化学品

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Preparation of polyurethane microcapsules with different polyols component for encapsulation of isophorone diisocyanate healing agent
Kardar P
Progress in Organic Coatings, 89, 271-276 (2015)
Carbazole and rhodanine based donor molecule with improved processability for high performance organic photovoltaics
Nho S, et al.
Dyes and Pigments, 151, 272-278 (2018)

Global Trade Item Number

SKUGTIN
801791902504022536370255
801791010004022536370217
801791001004027269250409
801791250004022536370231
801791100004022536370224