U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C3H6Cl2O
Molecular Weight 128.985
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,3-DICHLORO-1-PROPANOL

SMILES

OCC(Cl)CCl

InChI

InChIKey=ZXCYIJGIGSDJQQ-UHFFFAOYSA-N
InChI=1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Involvement of cytochrome P4502E1 in the toxicity of dichloropropanol to rat hepatocyte cultures.
1997 Mar 28
Co-metabolic degradation of chlorinated hydrocarbons by Pseudomonas sp. strain DCA1.
2001 Nov
Haloalkane hydrolysis with an immobilized haloalkane dehalogenase.
2001 Nov 20
[Toxicity of dichloropropanols].
2002 Sep 1
Survey of chloropropanols in soy sauces and related products purchased in the UK in 2000 and 2002.
2003 Oct
The simultaneous separation and determination of chloropropanols in soy sauce and other flavoring with gas chromatography-mass spectrometry in negative chemical and electron impact ionization modes.
2006 Feb
Mechanism of enhanced conversion of 1,2,3-trichloropropane by mutant haloalkane dehalogenase revealed by molecular modeling.
2006 Jun
Occurrence of chloropropanols in soy sauce and other foods in China between 2002 and 2004.
2007 Aug
Diethyl 6,13-dioxo-5,7,12,13b,13c,14-hexa-hydro-6H,13H-5a,6a,12a,13a-tetra-azabenz[5,6]azuleno[2,1,8-ija]benz[f]azulene-13b,13c-dicarboxyl-ate 1,2-dichloro-ethane solvate.
2009 Oct 17
Pathways and mechanisms for product release in the engineered haloalkane dehalogenases explored using classical and random acceleration molecular dynamics simulations.
2009 Oct 9
A study of the conformational stability and the vibrational spectra of 2,3-dichloro-1-propanol.
2010 Feb
Name Type Language
2,3-DICHLORO-1-PROPANOL
Systematic Name English
.ALPHA.,.BETA.-DICHLOROHYDRIN
Common Name English
GLYCEROL .ALPHA.,.BETA.-DICHLOROHYDRIN
Common Name English
1-PROPANOL, 2,3-DICHLORO-
Systematic Name English
1,2-DICHLORO-3-PROPANOL
Systematic Name English
2,3-DICHLORO-1-PROPANOL, (±)-
Systematic Name English
2,3-DICHLORO-1-PROPANOL, (RS)-
Systematic Name English
GLYCEROL 1,2-DICHLOROHYDRIN
Common Name English
.BETA.-DICHLOROHYDRIN
Common Name English
2,3-DICHLOROPROPAN-1-OL
Systematic Name English
2,3-DICHLOROPROPANOL [HSDB]
Common Name English
2,3-DICHLOROHYDRIN
Common Name English
2,3-DICHLOROPROPYL ALCOHOL
Systematic Name English
.BETA.,.GAMMA.-DICHLOROHYDRIN
Common Name English
Code System Code Type Description
HSDB
2743
Created by admin on Sat Dec 16 08:34:37 GMT 2023 , Edited by admin on Sat Dec 16 08:34:37 GMT 2023
PRIMARY
CAS
616-23-9
Created by admin on Sat Dec 16 08:34:37 GMT 2023 , Edited by admin on Sat Dec 16 08:34:37 GMT 2023
PRIMARY
ECHA (EC/EINECS)
210-470-0
Created by admin on Sat Dec 16 08:34:37 GMT 2023 , Edited by admin on Sat Dec 16 08:34:37 GMT 2023
PRIMARY
EPA CompTox
DTXSID2024038
Created by admin on Sat Dec 16 08:34:37 GMT 2023 , Edited by admin on Sat Dec 16 08:34:37 GMT 2023
PRIMARY
PUBCHEM
12018
Created by admin on Sat Dec 16 08:34:37 GMT 2023 , Edited by admin on Sat Dec 16 08:34:37 GMT 2023
PRIMARY
FDA UNII
88I7UKE7IM
Created by admin on Sat Dec 16 08:34:37 GMT 2023 , Edited by admin on Sat Dec 16 08:34:37 GMT 2023
PRIMARY