CHLOROPRENE

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 Search

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

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

Approval Year

PubMed

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
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
Kinetic modeling of beta-chloroprene metabolism: I. In vitro rates in liver and lung tissue fractions from mice, rats, hamsters, and humans.	2004 May	14976339
Kinetic modeling of beta-chloroprene metabolism: II. The application of physiologically based modeling for cancer dose response analysis.	2004 May	14976335
Grand rounds: latex-induced occupational asthma in a surgical pathologist.	2005 Jul	16002378
PBPK models in risk assessment--A focus on chloroprene.	2007 Mar 20	17324392
Chloroprene: overview of studies under consideration for the development of an IRIS assessment.	2007 Mar 20	17234169
The metabolism and molecular toxicology of chloroprene.	2007 Mar 20	16870169
Analyses of (1-chloroethenyl)oxirane headspace and hemoglobin N-valine adducts in erythrocytes indicate selective detoxification of (1-chloroethenyl)oxirane enantiomers.	2007 Mar 20	16750522
Biological Basis of Differential Susceptibility to Hepatocarcinogenesis among Mouse Strains.	2009 Mar	22271974
Degradation of chlorinated butenes and butadienes in granular iron columns.	2009 Oct	19847707
Cross-species transcriptomic analysis of mouse and rat lung exposed to chloroprene.	2013 Feb	23125180

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:30:28 GMT 2023` Edited by `admin` on `Fri Dec 15 18:30:28 GMT 2023`
Record UNII	42L93DWV3A
Record Status	`Validated (UNII)`
Record Version

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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

2-CHLOROBUTADIENE

Systematic Name

English

NSC-18589

Code

English

CHLOROPRENE [HSDB]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C45386