233072
4-(Trifluoromethyl)mandelic acid
98%
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About This Item
Linear Formula:
CF3C6H4CH(OH)CO2H
CAS Number:
Molecular Weight:
220.15
UNSPSC Code:
12352100
PubChem Substance ID:
EC Number:
206-900-1
MDL number:
Assay:
98%
Form:
solid
InChI key
SDGXYUQKJPFLDG-UHFFFAOYSA-N
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)
SMILES string
OC(C(O)=O)c1ccc(cc1)C(F)(F)F
assay
98%
form
solid
functional group
carboxylic acid, fluoro, hydroxyl
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)
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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