β-Chlorolactic acid - CAS 1713-85-5

Catalog:	BB012746
Product Name:	β-Chlorolactic acid
CAS:	1713-85-5
Synonyms:	3-chloro-2-hydroxypropanoic acid

Technical Data

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Computed Properties

IUPAC Name:	3-chloro-2-hydroxypropanoic acid
Description:	β-Chlorolactic acid (CAS# 1713-85-5) is a compound useful in organic synthesis.
Molecular Weight:	124.52
Molecular Formula:	C3H5ClO3
Canonical SMILES:	C(C(C(=O)O)O)Cl
InChI:	InChI=1S/C3H5ClO3/c4-1-2(5)3(6)7/h2,5H,1H2,(H,6,7)
InChI Key:	OSLCJYYQMKPZHU-UHFFFAOYSA-N
Boiling Point:	259.5 °C at 760 mmHg
Purity:	95 %
Density:	1.519 g/cm³
Appearance:	White solid
Storage:	2-8 °C
LogP:	-0.32930

Publication Number	Title	Priority Date
CN-111840662-A	Method for manufacturing birth control ring for obstetrics and gynecology department by utilizing degradable composite material	20200407
JP-2021106515-A	Amino acid or hydroxy acid production method and enzyme-modified electrode	20191227
CN-110208406-A	The mercapturic acids adduction object detecting method and application that the chloro- 1,2- propylene glycol of evaluation 3- and its ester expose in short term	20190531
CN-110208406-B	Detection method and application of mercapturic acid adduct for evaluating short-term exposure of 3-chloro-1,2-propanediol and ester thereof	20190531
CN-113227351-A	Engineered microbial strains for improved candy utilization	20181221

PMID	Publication Date	Title	Journal
20014430	20100501	Enantioselective oxidation of 2-hydroxy carboxylic acids by glycolate oxidase and catalase coexpressed in methylotrophic Pichia pastoris	Biotechnology progress
16971032	20070101	Evaluation of the genotoxic potential of 3-monochloropropane-1,2-diol (3-MCPD) and its metabolites, glycidol and beta-chlorolactic acid, using the single cell gel/comet assay	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
16472968	20061001	Lack of effect on rat testicular organogenesis after in utero exposure to 3-monochloropropane-1,2-diol (3-MCPD)	Reproductive toxicology (Elmsford, N.Y.)
15840431	20050601	Immunotoxic effect of beta-chlorolactic acid on murine splenocyte and peritoneal macrophage function in vitro	Toxicology
12031045	20020601	Lack of antifertility properties of novel halogenated glycolytic inhibitors and the urinary excretion and metabolism of 1,6-dichloro-1,6-dideoxy-D-fructofuranose in the male rat	International journal of andrology

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	72.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	123.9927217
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	123.9927217
Rotatable Bond Count:	2
Topological Polar Surface Area:	57.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2