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233072

4-(Trifluoromethyl)mandelic acid

Name: 4-(Trifluoromethyl)mandelic acid
Brand: ALDRICH

98%

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About This Item

Linear Formula:

CF₃C₆H₄CH(OH)CO₂H

CAS Number:

395-35-7

Molecular Weight:

220.15

UNSPSC Code:

12352100

PubChem Substance ID:

24853949

EC Number:

206-900-1

MDL number:

MFCD00009724

Assay:

98%

Form:

solid

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Properties

assay

98%

form

solid

functional group

carboxylic acid, fluoro, hydroxyl

SMILES string

OC(C(O)=O)c1ccc(cc1)C(F)(F)F

InChI

1S/C9H7F3O3/c10-9(11,12)6-3-1-5(2-4-6)7(13)8(14)15/h1-4,7,13H,(H,14,15)

InChI key

SDGXYUQKJPFLDG-UHFFFAOYSA-N

Description

General description

Bismuth-catalyzed oxidation of 4-(trifluoromethyl)mandelic acid has been reported.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

Regulatory Information

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Bi0-Catalyzed Oxidation of Mandelic Acid Derivatives: Substrate Selectivity.

Favier I, et al.

European Journal of Organic Chemistry, 2002(12), 1984-1988 (2002)

Bioanalysis of p-trifluoromethylmandelic acid and Mosher's acid by chiral gas chromatography and fluorine nuclear magnetic resonance to study chiral inversion: application to rat urine samples.

D B Matthews et al.

Journal of chromatography. B, Biomedical sciences and applications, 695(2), 279-285 (1997-08-01)

Methods for the nuclear magnetic resonance and gas chromatographic analysis of the enantiomers of p-trifluoromethylmandelic acid (p-TFM) and Mosher's acid (alpha-methoxy-alpha-(trifluoromethyl)phenylacetic acid) present in rat urine samples are described. Gas chromartography was performed using cyclodextrin capillary columns with both compounds

Global Trade Item Number

SKU	GTIN
233072-1G	04061825584003