3-(Trifluoromethyl)benzoic acid

3-(Trifluoromethyl)benzoic acid
  • CAS No.:454-92-2
Other grades of this product :
3-(Trifluoromethyl)benzoic acid Basic information
Product Name:3-(Trifluoromethyl)benzoic acid
Synonyms:m-Trifluoromethylbenzoic acid,alpha,alpha,alpha-Trifluoro-m-toluic acid;3-trifluoromethylbenzoate;m-benzoic Acid;m-Toluic acid, alpha,alpha,alpha-trifluoro-;m-Trifluorometylbenzoic acid;A,A,A-TRIFLUORO-M-TOLUIC ACID;ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLUIC ACID;3-CARBOXYBENZOTRIFLUORIDE
CAS:454-92-2
MF:C8H5F3O2
MW:190.12
EINECS:207-230-2
Product Categories:Building Blocks;C8;Carbonyl Compounds;Carboxylic Acids;Chemical Synthesis;Organic Building Blocks;blocks;Carboxes;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Benzene series;Benzotrifluoride Series
Mol File:454-92-2.mol
3-(Trifluoromethyl)benzoic acid Chemical Properties
Melting point 104-106 °C(lit.)
Boiling point 238.5 °C775 mm Hg(lit.)
density 1.3173 (estimate)
Fp 237-240°C
storage temp. Keep in dark place,Sealed in dry,Room Temperature
pka3.77±0.10(Predicted)
form powder to crystal
color White
BRN 2049239
InChIKeyFQXQBFUUVCDIRK-UHFFFAOYSA-N
CAS DataBase Reference454-92-2(CAS DataBase Reference)
NIST Chemistry Reference3-(Trifluoromethyl)benzoic acid(454-92-2)
EPA Substance Registry SystemBenzoic acid, 3-(trifluoromethyl)- (454-92-2)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-36-24/25
WGK Germany 3
HazardClass IRRITANT
HS Code 29163900
MSDS Information
ProviderLanguage
3-(Trifluoromethyl)benzoic acid English
ACROS English
SigmaAldrich English
ALFA English
3-(Trifluoromethyl)benzoic acid Usage And Synthesis
Chemical PropertiesWhite to light yellow crystal powde
DefinitionChEBI: A benzoic acid carrying a trifluoromethyl substituent at the 3-position.
General DescriptionpKa 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.

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