ChemicalBook Product Catalog Chemical Reagents Organic reagents Aromatic acids 3-(Trifluoromethyl)benzoic acid

3-(Trifluoromethyl)benzoic acid

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;Benzotrifluoride Series;blocks;Carboxes;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Benzene series
Mol File:454-92-2.mol
3-(Trifluoromethyl)benzoic acid Structure
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
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3-(Trifluoromethyl)benzoic acid English
SigmaAldrich English
ACROS 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.
3-(Trifluoromethyl)benzoic acid Preparation Products And Raw materials
Preparation Products3-METHYL-4-[3-(TRIFLUOROMETHYL)PHENYL]-5-ISOXAZOLAMINE-->3-FLUORO-5-(TRIFLUOROMETHYL)BENZALDEHYDE-->3-(TRIFLUOROMETHYL)PHENETHYLAMINE-->3-(Trifluoromethyl)benzoyl chloride-->3-OXO-3-(3-TRIFLUOROMETHYLPHENYL)PROPIONIC ACID ETHYL ESTER-->METHYL 3-(TRIFLUOROMETHYL)PHENYLACETATE-->3'-(TRIFLUOROMETHYL)PROPIOPHENONE-->1-Pentanone, 1-[3-(trifluoromethyl)phenyl]-
methylbenzoic acid 2-(tert-butoxycarbonylamino)-3-(trifluoromethyl)benzoic acid 4-amino-3-bromo-5-trifluoromethyl-benzoic acid 2-benzylsulfanyl-5-(trifluoromethyl)benzoic acid 2-(tert-butoxycarbonylamino)-4-(trifluoromethyl)benzoic acid Ethyl 2-(Chlorosulfonyl)acetate ETHYL 3-(TRIFLUOROMETHYL)BENZOATE 3-Amino-3-(trifluoromethyl)benzoic acid 4-amino-3-bromo-5-trifluoromethyl-benzoic acid methyl ester Ascoric Acid 2-Bromo-3-(trifluoromethyl)benzoic acid 98% Trifluoromethyl 2-CARBOXY-4-(TRIFLUOROMETHYL)DIPHENYLSULPHIDE 97 2-Hydroxy-5-Trifluoromethyl Benzoic Acid 4-amino-3-chloro-5-trifluoromethyl-benzoic acid methyl ester 3-Amino-4-(trifluoromethyl)benzoic acid 98% BENZOICACID 4-Fluoro-3-(trifluoromethyl)benzoic acid 98%
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