(S)-(+)-2-Chloromandelic Acid - CAS 52950-19-3

Name: (S)-(+)-2-Chloromandelic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB027998
Product Name:	(S)-(+)-2-Chloromandelic Acid
CAS:	52950-19-3
Synonyms:	(2S)-2-(2-chlorophenyl)-2-hydroxyacetic acid; (2S)-2-(2-chlorophenyl)-2-hydroxyacetic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(2S)-2-(2-chlorophenyl)-2-hydroxyacetic acid
Description:	Used for chiral resolutions.
Molecular Weight:	186.59
Molecular Formula:	C8H7ClO3
Canonical SMILES:	C1=CC=C(C(=C1)C(C(=O)O)O)Cl
InChI:	InChI=1S/C8H7ClO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/t7-/m0/s1
InChI Key:	RWOLDZZTBNYTMS-ZETCQYMHSA-N
Boiling Point:	350.3 °C at 760 mmHg
Density:	1.468 g/cm³
MDL:	MFCD00798437
LogP:	1.45800

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Publication Number	Title	Priority Date
EP-3786290-A1	Peptides and methods for the carbon-carbon bond formation	20190831
WO-2021038095-A1	Peptides and methods for the carbon-carbon bond formation	20190831
CN-109868293-A	A kind of method that enzymatic transesterification kinetics split 2- chloro mandelic acid enantiomer	20190122
CN-110172021-A	A kind of separating and extracting process of (R)-o-chloromandelic acid	20181126
CN-109467502-B	Method for splitting mandelic acid compound enantiomer	20181121

Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	186.0083718
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	186.0083718
Rotatable Bond Count:	2
Topological Polar Surface Area:	57.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5