1,2-DICHLOROBUTANE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C4H8Cl2
Molecular Weight	127.012
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,2-DICHLOROBUTANE

Structure Search

SMILES

CCC(Cl)CCl

InChI

InChIKey=PQBOTZNYFQWRHU-UHFFFAOYSA-N

InChI=1S/C4H8Cl2/c1-2-4(6)3-5/h4H,2-3H2,1H3

HIDE SMILES / InChI

Molecular Formula	C4H8Cl2
Molecular Weight	127.012
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

PubMed

PubMed

Title	Date	PubMed
Quantitative structure-activity relationships for toxicity and genotoxicity of halogenated aliphatic compounds: wing spot test of Drosophila melanogaster.	2007-02	17113125
Recombination dynamics and hydrogen abstraction reactions of chlorine radicals in solution.	2005-05-19	16833759

Patents

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:31:28 GMT 2025` Edited by `admin` on `Mon Mar 31 22:31:28 GMT 2025`
Record UNII	45N8M9T967
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1,2-DICHLOROBUTANE

Systematic Name

English

NSC-93880

Preferred Name

English

1,2-DICHLOROBUTANE [HSDB]

Common Name

English

(±)-1,2-DICHLOROBUTANE

Systematic Name

English

BUTANE, 1,2-DICHLORO-

Systematic Name

English

DL-1,2-DICHLOROBUTANE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID8027244

Created by admin on Mon Mar 31 22:31:28 GMT 2025 , Edited by admin on Mon Mar 31 22:31:28 GMT 2025

PRIMARY

HSDB

5717

Created by admin on Mon Mar 31 22:31:28 GMT 2025 , Edited by admin on Mon Mar 31 22:31:28 GMT 2025

PRIMARY

FDA UNII

45N8M9T967

Created by admin on Mon Mar 31 22:31:28 GMT 2025 , Edited by admin on Mon Mar 31 22:31:28 GMT 2025

PRIMARY

NSC

93880

Created by admin on Mon Mar 31 22:31:28 GMT 2025 , Edited by admin on Mon Mar 31 22:31:28 GMT 2025

PRIMARY

PUBCHEM

12017

Created by admin on Mon Mar 31 22:31:28 GMT 2025 , Edited by admin on Mon Mar 31 22:31:28 GMT 2025

PRIMARY

ECHA (EC/EINECS)

210-469-5

Created by admin on Mon Mar 31 22:31:28 GMT 2025 , Edited by admin on Mon Mar 31 22:31:28 GMT 2025

PRIMARY

CAS

616-21-7

Created by admin on Mon Mar 31 22:31:28 GMT 2025 , Edited by admin on Mon Mar 31 22:31:28 GMT 2025

PRIMARY