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Merck
CN

D56829

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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
203-400-5
Beilstein/REAXYS Number:
1680023
MDL number:
Assay:
≥99%
Bp:
173 °C (lit.)
Vapor pressure:
1.03 mmHg ( 25 °C)
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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)

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.


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Warning

Hazard Classifications

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

Storage Class

11 - Combustible Solids

wgk

WGK 2

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

Regulatory Information

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Michael C McCarthy et al.
Environmental health perspectives, 117(5), 790-796 (2009-05-30)
Ambient measurements of hazardous air pollutants (air toxics) have been used to validate model-predicted concentrations of air toxics but have not been used to perform risk screening at the national level. We used ambient concentrations of routinely measured air toxics
Bernhard Rainer et al.
Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment, 36(9), 1419-1432 (2019-07-10)
A major challenge in the safety assessment of food contact materials (FCM) is the evaluation of unknown non-intentionally added substances (NIAS). Even though consumer exposure levels may be quantitatively low, these substances are considered to be of high toxicological concern



Global Trade Item Number

SKUGTIN
D56829-3KG04061833586686
D56829-100G04061833586679