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BROMOCHLOROACETIC ACID

CAS No.:
5589-96-8
Catalog Number:
AG003OKB
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG003OKB
Chemical Name:
BROMOCHLOROACETIC ACID
CAS Number:
5589-96-8
MDL Number:
MFCD00143872
IUPAC Name:
2-bromo-2-chloroacetic acid
InChI:
InChI=1S/C2H2BrClO2/c3-1(4)2(5)6/h1H,(H,5,6)
InChI Key:
GEHJBWKLJVFKPS-UHFFFAOYSA-N
Properties
Complexity:
64.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.893g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
173.39g/mol
Monoisotopic Mass:
171.893g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
The synergistic effect of sodium chlorite and bromochloroacetic acid on BrO3(-)-induced renal cell death. Toxicology 20111118
Mouse embryonic stem cell adherent cell differentiation and cytotoxicity (ACDC) assay. Reproductive toxicology (Elmsford, N.Y.) 20110501
Polymorphisms in GSTT1, GSTZ1, and CYP2E1, disinfection by-products, and risk of bladder cancer in Spain. Environmental health perspectives 20101101
[Determination of trihalomethanes and haloacetic acids in the sample holding time, and their stability in the extract]. Wei sheng yan jiu = Journal of hygiene research 20100301
Mammalian cell cytotoxicity and genotoxicity of the haloacetic acids, a major class of drinking water disinfection by-products. Environmental and molecular mutagenesis 20100101
The assessment of population exposure to chlorination by-products: a study on the influence of the water distribution system. Environmental health : a global access science source 20100101
Development of a less toxic dichloroacetate analogue by docking and descriptor analysis. Bioinformation 20100101
Toxicology and carcinogenesis studies of bromochloroacetic acid (CAS No. 5589-96-8) in F344/N rats and B6C3F1 mice (drinking water studies). National Toxicology Program technical report series 20090201
Determination of ten haloacetic acids in drinking water using high-performance and ultra-performance liquid chromatography-tandem mass spectrometry. Journal of chromatographic science 20090101
Halogenated derivatives QSAR model using spectral moments to predict haloacetic acids (HAA) mutagenicity. Bioorganic & medicinal chemistry 20080515
Analysis of the enantiomers of chiral pesticides and other pollutants in environmental samples by capillary electrophoresis. Methods in molecular biology (Clifton, N.J.) 20080101
Abstracts of papers presented at the 2008 pittsburgh conference. Journal of automated methods & management in chemistry 20080101
A general, positive ion mode ESI-MS approach for the analysis of singly charged inorganic and organic anions using a dicationic reagent. Analytical chemistry 20071001
The healthy men study: an evaluation of exposure to disinfection by-products in tap water and sperm quality. Environmental health perspectives 20070801
Development of normal human colon cell cultures to identify priority unregulated disinfection by-products with a carcinogenic potential. Water science and technology : a journal of the International Association on Water Pollution Research 20070101
Abstracts of papers presented at the 2007 pittsburgh conference. Journal of automated methods & management in chemistry 20070101
Short-term exposures to dihaloacetic acids produce dysmorphogenesis in mouse conceptuses in vitro. Reproductive toxicology (Elmsford, N.Y.) 20061001
Major carcinogenic pathways identified by gene expression analysis of peritoneal mesotheliomas following chemical treatment in F344 rats. Toxicology and applied pharmacology 20060715
Bromochloro-haloacetic acids: effects on mouse embryos in vitro and QSAR considerations. Reproductive toxicology (Elmsford, N.Y.) 20060401
Reproductive and genomic effects in testes from mice exposed to the water disinfectant byproduct bromochloroacetic acid. Reproductive toxicology (Elmsford, N.Y.) 20050101
Kinetics of haloacetic acid reactions with Fe(0). Environmental science & technology 20041215
Developmental toxicity of mixtures: the water disinfection by-products dichloro-, dibromo- and bromochloro acetic acid in rat embryo culture. Reproductive toxicology (Elmsford, N.Y.) 20041101
Haloacid induced alterations in fertility and the sperm biomarker SP22 in the rat are additive: validation of an ELISA. Toxicological sciences : an official journal of the Society of Toxicology 20041001
Evaluation of the effects of water disinfection by-products, bromochloroacetic and dibromoacetic acids, on frog embryogenesis. Journal of toxicology and environmental health. Part A 20040625
[Investigation of bromate, haloacetic acids and perchlorate in Beijing's drinking water]. Huan jing ke xue= Huanjing kexue 20040301
Determination of trace levels of haloacetic acids and perchlorate in drinking water by ion chromatography with direct injection. Journal of chromatography. A 20030516
Defining the cellular and molecular mechanisms of toxicant action in the testis. Toxicology letters 20021005
Bromochloroacetic acid exerts qualitative effects on rat sperm: implications for a novel biomarker. Toxicological sciences : an official journal of the Society of Toxicology 20020701
Stereospecific toxicokinetics of bromochloro- and chlorofluoroacetate: effect of GST-zeta depletion. Toxicology and applied pharmacology 20010901
Differential effects of dihalogenated and trihalogenated acetates in the liver of B6C3F1 mice. Journal of applied toxicology : JAT 20010101
Development of a 950-gene DNA array for examining gene expression patterns in mouse testis. Genome biology 20010101
Use of structure-activity relationships for probing biochemical mechanisms: glutathione transferase zeta conjugation of haloacids. Advances in experimental medicine and biology 20010101
Properties