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CAS 433-97-6

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2-(Trifluoromethyl)benzoic acid

Description:
2-(Trifluoromethyl)benzoic acid, with the CAS number 433-97-6, is an aromatic carboxylic acid characterized by the presence of a trifluoromethyl group (-CF3) attached to the benzene ring at the second position relative to the carboxylic acid group (-COOH). This compound typically appears as a white crystalline solid and is known for its relatively high melting point. The trifluoromethyl group imparts unique electronic and steric properties, enhancing the compound's lipophilicity and influencing its reactivity. It is often utilized in organic synthesis and as an intermediate in the production of pharmaceuticals and agrochemicals. The presence of the carboxylic acid functional group allows for hydrogen bonding, which can affect solubility in various solvents. Additionally, 2-(Trifluoromethyl)benzoic acid exhibits moderate acidity, making it a useful reagent in various chemical reactions, including esterification and amidation. Safety precautions should be taken when handling this compound, as it may pose health risks if ingested or inhaled.
Formula:C8H5F3O2
InChI:InChI=1S/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)
InChI key:InChIKey=FBRJYBGLCHWYOE-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=C(C(O)=O)C=CC=C1
Synonyms:
  • (2Z)-2-chloro-1,1,1,3,4,4,4-heptafluorobut-2-ene
  • 2-(Trifluoromethyl)Benzoate
  • 2-(Trifluoromethyl)benzoic acid
  • 2-Trifluoromethylbenzoic Acid
  • Benzoic acid, 2-(trifluoromethyl)-
  • NSC 88326
  • o-(Trifluoromethyl)benzoic acid
  • o-Toluic acid, α,α,α-trifluoro-
  • o-Trifluoromethylbenzoic acid
  • α,α,α-Trifluoro-o-toluic acid
  • See more synonyms
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