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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 Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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