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Key Documents

D56829

Sigma-Aldrich

1,4-Dichlorobenzene

≥99%

Synonym(s):

1,4-Dichlorobenzene, Di-chloricide, Dichlorocide, PDB, Paradichlorobenzene, p-Chlorophenyl chloride, p-Dichlorobenzene, para-Dichlorobenzene

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About This Item

Empirical Formula (Hill Notation):
C6H4Cl2
CAS Number:
Molecular Weight:
147.00
Beilstein:
1680023
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
bp:
173 °C (lit.)
vapor pressure:
1.03 mmHg ( 25 °C)

vapor density

5.07 (vs air)

Quality Level

vapor pressure

1.03 mmHg ( 25 °C)

Assay

≥99%

form

crystalline solid

bp

173 °C (lit.)

mp

52-54 °C (lit.)

density

1.241 g/mL at 25 °C (lit.)

SMILES string

Clc1ccc(Cl)cc1

InChI

1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H

InChI key

OCJBOOLMMGQPQU-UHFFFAOYSA-N

Gene Information

human ... CYP2A6(1548)
mouse ... Cyp2a5(13087)

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Application

1,4-Dichlorobenzene can be used as a reactant:
  • In the synthesis of nitro-aromatics via electrophilic nitration.
  • To synthesize polyarylbenzenes through C-C cross coupling with arylboronic acids using imidazolium salt as a catalyst.
  • In the Pd-catalyzed Mizoroki-Heck coupling reaction with alkenes.

Signal Word

Warning

Hazard Statements

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Carc. 2 - Eye Irrit. 2

Storage Class Code

11 - Combustible Solids

WGK

WGK 2

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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