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Safety Information

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:
106-46-7
Molecular Weight:
147.00
Beilstein:
1680023
EC Number:
203-400-5
MDL number:
MFCD00000604
UNSPSC Code:
12352100
PubChem Substance ID:
24893960
NACRES:
NA.22
bp:
173 °C (lit.)
vapor pressure:
1.03 mmHg ( 25 °C)

vapor density

5.07 (vs air)

Quality Level

100

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

H319,H351,H410

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PRTR

Class I Designated Chemical Substances

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

D56829-VAR:
D56829-BULK:
D56829-3KG:4548173956114
D56829-100G:4548173956107
D56829-25G:
D56829-5G:4548173956121
D56829-500G:

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Certificates of Analysis (COA)

Lot/Batch Number
SDBB2571
MKBS7929V
MKBS4401V
MKBS1350V
MKBR7439V

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Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 49(1), 49-56 (2010-10-12)
Rats and mice (8 animals per species per group) were injected subcutaneously or intraperitoneally with paradichlorobenzene (PDCB) at doses of 0, 100, 200 and 400 mg/kg/day, 4-5 days a week, for 8 weeks (for rats) and either 2 or 6
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Journal of the American Chemical Society, 133(47), 19094-19101 (2011-11-09)
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