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CAS 261945-09-9

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3,5-Difluoro-4-(trifluoromethyl)benzoic acid

Description:
3,5-Difluoro-4-(trifluoromethyl)benzoic acid is an aromatic carboxylic acid characterized by the presence of multiple fluorine substituents on its benzene ring. Specifically, it features two fluorine atoms at the 3 and 5 positions and a trifluoromethyl group (-CF3) at the 4 position. This compound is notable for its high electronegativity due to the fluorine atoms, which can significantly influence its chemical reactivity and physical properties, such as solubility and boiling point. The presence of the carboxylic acid functional group (-COOH) imparts acidic properties, allowing it to participate in various chemical reactions, including esterification and amidation. Additionally, the fluorinated groups enhance its lipophilicity and may contribute to its biological activity, making it of interest in pharmaceutical and agrochemical research. The compound is typically synthesized through fluorination reactions and can be analyzed using techniques such as NMR and mass spectrometry to confirm its structure and purity.
Formula:C8H3F5O2
InChI:InChI=1S/C8H3F5O2/c9-4-1-3(7(14)15)2-5(10)6(4)8(11,12)13/h1-2H,(H,14,15)
InChI key:InChIKey=MKESWMDKZFRERU-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=C(F)C=C(C(O)=O)C=C1F
Synonyms:
  • Benzoic acid, 3,5-difluoro-4-(trifluoromethyl)-
  • 3,5-Difluoro-4-(trifluoromethyl)benzoic acid
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