CHLOROPRENE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C4H5Cl
Molecular Weight	88.536
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CHLOROPRENE

SMILES

ClC(=C)C=C

InChI

InChIKey=YACLQRRMGMJLJV-UHFFFAOYSA-N

InChI=1S/C4H5Cl/c1-3-4(2)5/h3H,1-2H2

HIDE SMILES / InChI

Molecular Formula	C4H5Cl
Molecular Weight	88.536
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Show entries

Title	Date	PubMed
High frequency of codon 61 K-ras A-->T transversions in lung and Harderian gland neoplasms of B6C3F1 mice exposed to chloroprene (2-chloro-1,3-butadiene) for 2 years, and comparisons with the structurally related chemicals isoprene and 1,3-butadiene.	1999 Apr	10223196
Chloroprene as a source of fine chemicals: palladium-catalyzed synthesis of terminal allenes.	2001 Aug 9	11483074
Cohort studies of chloroprene-exposed workers in Russia.	2001 Jun 1	11397408
Point mutations of K-ras and H-ras genes in forestomach neoplasms from control B6C3F1 mice and following exposure to 1,3-butadiene, isoprene or chloroprene for up to 2-years.	2001 Jun 1	11397402
Comparative carcinogenicity of 1,3-butadiene, isoprene, and chloroprene in rats and mice.	2001 Jun 1	11397379

Showing 1 to 5 of 18 entries

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Patents

Substance Class	Chemical
Record UNII	42L93DWV3A
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

CHLOROPRENE

Common Name

English

CHLOROPRENE [IARC]

Common Name

English

2-CHLORO-1,3-BUTADIENE

Systematic Name

English

.BETA.-CHLOROPRENE

Common Name

English

CHLORO-1,3-BUTADIENE, 2-

Systematic Name

English

Showing 1 to 5 of 8 entries

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Classification Tree

Code System

Code

Carcinogenic Halogenated Hydrocarbon

NCI_THESAURUS

C45386

Showing 1 to 1 of 1 entries

Show entries

Code System

Code

Type

Description

MESH

D002737

PRIMARY

CHEBI

39481

PRIMARY

MESH

D009387

PRIMARY

FDA UNII

42L93DWV3A

PRIMARY

HSDB

1618

PRIMARY

Showing 1 to 5 of 14 entries

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