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Key Documents

233072

Sigma-Aldrich

4-(Trifluoromethyl)mandelic acid

98%

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About This Item

Linear Formula:
CF3C6H4CH(OH)CO2H
CAS Number:
Molecular Weight:
220.15
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:

assay

98%

form

solid

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

General description

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

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)


Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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)
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

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