188344
3-(Trifluoromethyl)benzoic acid
99%
Synonym(s):
α,α,α-Trifluoro-m-toluic acid, 3-Carboxybenzotrifluoride
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About This Item
Linear Formula:
CF3C6H4CO2H
CAS Number:
Molecular Weight:
190.12
Beilstein:
2049239
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
Assay
99%
form
solid
bp
238.5 °C/775 mmHg (lit.)
mp
104-106 °C (lit.)
functional group
carboxylic acid
fluoro
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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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 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
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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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