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530182

2-Chloromandelic acid

98%

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About This Item

Linear Formula:
ClC6H4CH(OH)CO2H
CAS Number:
10421-85-9
Molecular Weight:
186.59
NACRES:
NA.22
PubChem Substance ID:
24877735
UNSPSC Code:
12352100
EC Number:
233-900-9
MDL number:
MFCD00084962
Assay:
98%
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Quality Segment

100

assay

98%

mp

90-93 °C (lit.)

functional group

carboxylic acid, chloro, hydroxyl

SMILES string

OC(C(O)=O)c1ccccc1Cl

InChI

1S/C8H7ClO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7,10H,(H,11,12)

InChI key

RWOLDZZTBNYTMS-UHFFFAOYSA-N

General description

2-Chloromandelic acid (2-ClMA) is a mandelic acid derivative. A report based on its solid state-NMR, X-ray powder diffraction (XPRD) and Fourier transform infrared spectroscopy (FTIR) data reveals that in solid state 2-ClMA exists as a racemic compound. The study also suggests that the crystals of racemic 2-ClMA belongs the monoclinic space group P21/c. The efficiency of (R)-(+)-N-benzyl-1-phenylethylamine in resolving racemate 2-ClMA has been investigated.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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