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

Details

Stereochemistry RACEMIC
Molecular Formula C2H2BrClO2
Molecular Weight 173.393
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BROMOCHLOROACETIC ACID

SMILES

OC(=O)C(Cl)Br

InChI

InChIKey=GEHJBWKLJVFKPS-UHFFFAOYSA-N
InChI=1S/C2H2BrClO2/c3-1(4)2(5)6/h1H,(H,5,6)

HIDE SMILES / InChI

Molecular Formula C2H2BrClO2
Molecular Weight 173.393
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
The synergistic effect of sodium chlorite and bromochloroacetic acid on BrO3(-)-induced renal cell death.
2011-11-18
Mouse embryonic stem cell adherent cell differentiation and cytotoxicity (ACDC) assay.
2011-05
Polymorphisms in GSTT1, GSTZ1, and CYP2E1, disinfection by-products, and risk of bladder cancer in Spain.
2010-11
The assessment of population exposure to chlorination by-products: a study on the influence of the water distribution system.
2010-10-07
Mammalian cell cytotoxicity and genotoxicity of the haloacetic acids, a major class of drinking water disinfection by-products.
2010-09-15
Development of a less toxic dichloroacetate analogue by docking and descriptor analysis.
2010-07-06
[Determination of trihalomethanes and haloacetic acids in the sample holding time, and their stability in the extract].
2010-03
Toxicology and carcinogenesis studies of bromochloroacetic acid (CAS No. 5589-96-8) in F344/N rats and B6C3F1 mice (drinking water studies).
2009-02
Determination of ten haloacetic acids in drinking water using high-performance and ultra-performance liquid chromatography-tandem mass spectrometry.
2009-01
Abstracts of papers presented at the 2008 pittsburgh conference.
2008
Analysis of the enantiomers of chiral pesticides and other pollutants in environmental samples by capillary electrophoresis.
2008
A general, positive ion mode ESI-MS approach for the analysis of singly charged inorganic and organic anions using a dicationic reagent.
2007-10-01
The healthy men study: an evaluation of exposure to disinfection by-products in tap water and sperm quality.
2007-08
Abstracts of papers presented at the 2007 pittsburgh conference.
2007
Development of normal human colon cell cultures to identify priority unregulated disinfection by-products with a carcinogenic potential.
2007
Short-term exposures to dihaloacetic acids produce dysmorphogenesis in mouse conceptuses in vitro.
2006-10
Major carcinogenic pathways identified by gene expression analysis of peritoneal mesotheliomas following chemical treatment in F344 rats.
2006-07-15
Bromochloro-haloacetic acids: effects on mouse embryos in vitro and QSAR considerations.
2006-04
Kinetics of haloacetic acid reactions with Fe(0).
2004-12-15
Developmental toxicity of mixtures: the water disinfection by-products dichloro-, dibromo- and bromochloro acetic acid in rat embryo culture.
2004-11
Haloacid induced alterations in fertility and the sperm biomarker SP22 in the rat are additive: validation of an ELISA.
2004-10
Evaluation of the effects of water disinfection by-products, bromochloroacetic and dibromoacetic acids, on frog embryogenesis.
2004-06-25
Reproductive and genomic effects in testes from mice exposed to the water disinfectant byproduct bromochloroacetic acid.
2004-03-23
[Investigation of bromate, haloacetic acids and perchlorate in Beijing's drinking water].
2004-03
Determination of trace levels of haloacetic acids and perchlorate in drinking water by ion chromatography with direct injection.
2003-05-16
Defining the cellular and molecular mechanisms of toxicant action in the testis.
2002-10-05
Bromochloroacetic acid exerts qualitative effects on rat sperm: implications for a novel biomarker.
2002-07
Stereospecific toxicokinetics of bromochloro- and chlorofluoroacetate: effect of GST-zeta depletion.
2001-09-01
Differential effects of dihalogenated and trihalogenated acetates in the liver of B6C3F1 mice.
2001-04-05
Use of structure-activity relationships for probing biochemical mechanisms: glutathione transferase zeta conjugation of haloacids.
2001
Development of a 950-gene DNA array for examining gene expression patterns in mouse testis.
2001
Substance Class Chemical
Created
by admin
on Mon Mar 31 22:20:07 GMT 2025
Edited
by admin
on Mon Mar 31 22:20:07 GMT 2025
Record UNII
AL8MZ37Y51
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BROMOCHLOROACETIC ACID
Systematic Name English
CHLOROBROMOACETIC ACID [HSDB]
Preferred Name English
ACETIC ACID, BROMOCHLORO-
Systematic Name English
ACETIC ACID, 2-BROMO-2-CHLORO-
Systematic Name English
BROMOCHLOROACETIC ACID [IARC]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID4024642
Created by admin on Mon Mar 31 22:20:07 GMT 2025 , Edited by admin on Mon Mar 31 22:20:07 GMT 2025
PRIMARY
HSDB
7619
Created by admin on Mon Mar 31 22:20:07 GMT 2025 , Edited by admin on Mon Mar 31 22:20:07 GMT 2025
PRIMARY
FDA UNII
AL8MZ37Y51
Created by admin on Mon Mar 31 22:20:07 GMT 2025 , Edited by admin on Mon Mar 31 22:20:07 GMT 2025
PRIMARY
CAS
5589-96-8
Created by admin on Mon Mar 31 22:20:07 GMT 2025 , Edited by admin on Mon Mar 31 22:20:07 GMT 2025
PRIMARY
PUBCHEM
542762
Created by admin on Mon Mar 31 22:20:07 GMT 2025 , Edited by admin on Mon Mar 31 22:20:07 GMT 2025
PRIMARY