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530182

2-Chloromandelic acid

Name: 2-Chloromandelic acid
Brand: ALDRICH

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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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Properties

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

Description

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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