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3-(Trifluoromethyl)benzoic acid

ALDRICH/188344 - 99%

Synonym: α,α,α-Trifluoro-m-toluic acid; 3-Carboxybenzotrifluoride

CAS Number: 454-92-2
Empirical Formula (Hill Notation): C8H5F3O2
Molecular Weight: 190.12
EC Number: 207-230-2
MDL Number: MFCD00002519
Linear Formula: CF3C6H4CO2H
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-188344-10G 10 g
 $73.60
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assay 99%
bp 238.5 °C/775 mmHg (lit.)
form solid
functional group carboxylic acid
  fluoro
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
mp 104-106 °C (lit.)
Quality Level 100 
SMILES string OC(=O)c1cccc(c1)C(F)(F)F
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.
Packaging: 10 g in glass bottle
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-36
RIDADR NONH for all modes of transport
WGK Germany WGK 3
Flash Point(F) Not applicable
Flash Point(C) Not applicable
Purity 99%
bp 238.5 °C/775 mmHg (lit.)
mp 104-106 °C (lit.)
UNSPSC 12352100

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