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188344

Sigma-Aldrich

3-(Trifluoromethyl)benzoic acid

99%

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Synonym(s):
α,α,α-Trifluoro-m-toluic acid, 3-Carboxybenzotrifluoride
Linear Formula:
CF3C6H4CO2H
CAS Number:
Molecular Weight:
190.12
Beilstein/REAXYS Number:
2049239
EC Number:
MDL number:
PubChem Substance ID:

Quality Level

assay

99%

form

solid

bp

238.5 °C/775 mmHg (lit.)

mp

104-106 °C (lit.)

SMILES string

OC(=O)c1cccc(c1)C(F)(F)F

InChI

1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)

InChI key

FQXQBFUUVCDIRK-UHFFFAOYSA-N

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This Item
193356233021196886
3-(Trifluoromethyl)benzoic acid 99%

188344

3-(Trifluoromethyl)benzoic acid

2-(Trifluoromethyl)benzoic acid 98%

196886

2-(Trifluoromethyl)benzoic acid

bp

238.5 °C/775 mmHg (lit.)

bp

-

bp

-

bp

247 °C/753 mmHg (lit.)

mp

104-106 °C (lit.)

mp

76-79 °C (lit.)

mp

82-85 °C (lit.)

mp

107-110 °C (lit.)

form

solid

form

solid

form

solid

form

solid

General description

pKa values of 3-(trifluoromethyl)benzoic acid in water and in methanol has been measured. Solubility of 3-(trifluoromethyl)benzoic acid in dense carbon dioxide was evaluated to investigate the influence of fluorination on the solubility of organic pharmaceuticals in dense carbon dioxide.

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves


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The in vitro aqueous behaviour of a metacryloyloxyethyl [2-(acetyloxy)-4-(trifluoromethyl)]benzoate (THEMA)/N,N'-dimethylacrylamide (DMA) copolymer with a THEMA molar content of 39% (labeled THDMA39) has been investigated. This composition has been selected to achieve a system able to keep both the non-water solubility
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The TOL plasmid-encoded enzymes of the methylbenzoate pathway in Pseudomonas putida mt-2 cometabolized 3-trifluoromethyl (TFM)-benzoate. Two products, 3-TFM-1,2-dihydroxy-2-hydrobenzoate (3-TFM-DHB) and 2-hydroxy-6-oxo-7,7,7-trifluoro-hepta-2,4-dienoate (7-TFHOD) were identified chemically and by spectroscopic properties. TFM-substituted analogues of the metabolites of the methylbenzoate pathway were generally
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