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4-(Trifluoromethyl)benzoic acid

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4-(Trifluoromethyl)benzoic acid Basic information
Uses
Product Name:4-(Trifluoromethyl)benzoic acid
Synonyms:4-(trifluoromethyl)-benzoicaci;Benzoic acid, 4-(trifluoromethyl)-;4-(TRIFLUOROMETHYL)BENZOIC ACID;A,A,A-TRIFLUORO-P-TOLUIC ACID;ALPHA,ALPHA,ALPHA-TRIFLUORO-P-TOLUIC ACID;PTF-BOA;RARECHEM AL BO 0066;P-CARBOXYBENZOTRIFLUORIDE
CAS:455-24-3
MF:C8H5F3O2
MW:190.12
EINECS:207-242-8
Product Categories:Benzotrifluoride Series;Carboxylic Acids;Phenyls & Phenyl-Het;blocks;Carboxes;Boronic Acid series;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Carboxylic Acids;Phenyls & Phenyl-Het;API intermediates;bc0001
Mol File:455-24-3.mol
4-(Trifluoromethyl)benzoic acid Structure
4-(Trifluoromethyl)benzoic acid Chemical Properties
Melting point 219-220 °C(lit.)
Boiling point 247°C 753mm
density 1.3173 (estimate)
Fp 247°C/753mm
storage temp. Sealed in dry,Room Temperature
pka3.69±0.10(Predicted)
form Fine Crystalline Powder
color White to slight gray
Water Solubility Soluble in water.
BRN 2049241
InChIInChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)
InChIKeySWKPKONEIZGROQ-UHFFFAOYSA-N
SMILESC(O)(=O)C1=CC=C(C(F)(F)F)C=C1
CAS DataBase Reference455-24-3(CAS DataBase Reference)
NIST Chemistry Reference«ALPHA»,«alpha»,«alpha»-trifluoro-p-toluic acid(455-24-3)
EPA Substance Registry SystemBenzoic acid, 4-(trifluoromethyl)- (455-24-3)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-36/37-24/25
WGK Germany 3
TSCA TSCA listed
HazardClass IRRITANT
HS Code 29163900
Storage Class11 - Combustible Solids
Hazard ClassificationsEye Irrit. 2
Skin Irrit. 2
STOT SE 3
MSDS Information
ProviderLanguage
4-Carboxybenzotrifluoride English
ACROS English
SigmaAldrich English
ALFA English
4-(Trifluoromethyl)benzoic acid Usage And Synthesis
Uses4-(Trifluoromethyl)benzaldehyde is a reactant that has been used in the preparation of N,N'-(Arylmethylene)bisamides with cytotoxic activity as anti cancer agents.
Chemical PropertiesWhite to light yellow crystal powde
Uses4-(Trifluoromethyl)benzoic acid was used in the synthesis of salicylanilide 4-(trifluoromethyl)benzoates viaN,N-dicyclohexylcarbodiimide coupling in dry N,N-dimethylformamide. It was used as internal standard during the ultra trace analysis of fluorinated aromatic carboxylic acids by GC/MS method.
DefinitionChEBI: A benzoic acid carrying a 4-trifluoromethyl substituent.
Tag:4-(Trifluoromethyl)benzoic acid(455-24-3) Related Product Information
o-Toluic acid 4-Bromomethylbenzoic acid 4-(Chloromethyl)benzoic acid Ethyl 2-(Chlorosulfonyl)acetate p-Toluic acid alpha,alpha,alpha-Trifluoro-o-toluoyl chloride Folic acid 3-(Trifluoromethyl)anisole m-Toluic acid 2,3,4-Trifluorobenzoic acid Methyl 4-trifluoromethylbenzoate 4-(Aminomethyl)benzoic acid 3-(Trifluoromethyl)benzaldehyde 2-(Trifluoromethyl)benzaldehyde 4-(Trifluoromethyl)benzylamine Citric acid α-Lipoic Acid 4-(Trifluoromethoxy)benzoyl chloride