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

Details

Stereochemistry RACEMIC
Molecular Formula C3H6Br2O
Molecular Weight 217.887
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,3-DIBROMOPROPANOL

SMILES

OCC(Br)CBr

InChI

InChIKey=QWVCIORZLNBIIC-UHFFFAOYSA-N
InChI=1S/C3H6Br2O/c4-1-3(5)2-6/h3,6H,1-2H2

HIDE SMILES / InChI

Molecular Formula C3H6Br2O
Molecular Weight 217.887
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
NTP Toxicology and Carcinogenesis Studies of 2,3-Dibromo-1-Propanol (CAS No. 96-13-9) in F344/N Rats and B6C3F1 Mice (Dermal Studies).
1993 Dec
Characterization of a novel enantioselective halohydrin hydrogen-halide-lyase.
1994 Apr
Toxicity and carcinogenicity of 2,3-dibromo-1-propanol in F344/N rats and B6C3F1 mice.
1995 Jun
An update of the National Toxicology Program database on nasal carcinogens.
1997 Oct 31
Haloalkane dehalogenases: structure of a Rhodococcus enzyme.
1999 Dec 7
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
Sugar-pendant diamines.
2001 Jun 1
2,3-Dibromo-1-propanol.
2002
Phthalates, alkylphenols, pesticides, polybrominated diphenyl ethers, and other endocrine-disrupting compounds in indoor air and dust.
2003 Oct 15
2,3-Dibromo-1-propanol.
2004
Automated solid phase extraction and quantitative measurement of 2,3-dibromo-1-propanol in urine using gas chromatography-mass spectrometry.
2007 Jul
New perspective on the determination of flame retardants in sewage sludge by using ultrahigh pressure liquid chromatography-tandem mass spectrometry with different ion sources.
2010 Jul 2
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:39:26 UTC 2023
Edited
by admin
on Sat Dec 16 08:39:26 UTC 2023
Record UNII
C0YBW1OA2I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,3-DIBROMOPROPANOL
Systematic Name English
2,3-DIBROMOPROPAN-1-OL [HSDB]
Common Name English
2,3-DIBROMO-1-PROPANOL
Systematic Name English
1,2-DIBROMOPROPAN-3-OL
Systematic Name English
2,3-DIBROMOPROPYL ALCOHOL
Systematic Name English
NSC-6203
Code English
DIBROMOPROPANOL
Systematic Name English
1-PROPANOL, 2,3-DIBROMO-
Systematic Name English
BROMINEX 257
Brand Name English
ETHOXYLATED HYDANTOIN GLYCOL DICOCOATE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C45388
Created by admin on Sat Dec 16 08:39:26 UTC 2023 , Edited by admin on Sat Dec 16 08:39:26 UTC 2023
Code System Code Type Description
CAS
96-13-9
Created by admin on Sat Dec 16 08:39:26 UTC 2023 , Edited by admin on Sat Dec 16 08:39:26 UTC 2023
PRIMARY
HSDB
2879
Created by admin on Sat Dec 16 08:39:26 UTC 2023 , Edited by admin on Sat Dec 16 08:39:26 UTC 2023
PRIMARY
NCI_THESAURUS
C44303
Created by admin on Sat Dec 16 08:39:26 UTC 2023 , Edited by admin on Sat Dec 16 08:39:26 UTC 2023
PRIMARY
PUBCHEM
7281
Created by admin on Sat Dec 16 08:39:26 UTC 2023 , Edited by admin on Sat Dec 16 08:39:26 UTC 2023
PRIMARY
ECHA (EC/EINECS)
202-480-9
Created by admin on Sat Dec 16 08:39:26 UTC 2023 , Edited by admin on Sat Dec 16 08:39:26 UTC 2023
PRIMARY
FDA UNII
C0YBW1OA2I
Created by admin on Sat Dec 16 08:39:26 UTC 2023 , Edited by admin on Sat Dec 16 08:39:26 UTC 2023
PRIMARY
NSC
6203
Created by admin on Sat Dec 16 08:39:26 UTC 2023 , Edited by admin on Sat Dec 16 08:39:26 UTC 2023
PRIMARY
EPA CompTox
DTXSID7021817
Created by admin on Sat Dec 16 08:39:26 UTC 2023 , Edited by admin on Sat Dec 16 08:39:26 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE