CAS 890097-95-7

3,4,5-Trifluoro-α-oxobenzeneacetic acid

Description:

3,4,5-Trifluoro-α-oxobenzeneacetic acid, with the CAS number 890097-95-7, is a fluorinated aromatic compound characterized by the presence of three fluorine atoms attached to a benzene ring, along with an α-oxobenzeneacetic acid functional group. This compound typically exhibits high stability due to the strong C-F bonds, which also contribute to its unique chemical reactivity and potential applications in pharmaceuticals and agrochemicals. The trifluoromethyl groups enhance lipophilicity and can influence the compound's biological activity. As an α-oxobenzeneacetic acid derivative, it may participate in various chemical reactions, including acylation and condensation, making it a valuable intermediate in organic synthesis. The presence of the carboxylic acid functional group allows for hydrogen bonding, which can affect solubility and interaction with biological targets. Overall, 3,4,5-Trifluoro-α-oxobenzeneacetic acid is notable for its distinctive structural features and potential utility in various chemical applications.

Formula: C₈H₃F₃O₃

InChI: InChI=1S/C8H3F3O3/c9-4-1-3(7(12)8(13)14)2-5(10)6(4)11/h1-2H,(H,13,14)

InChI key: InChIKey=ZTDBEJANLSIGOC-UHFFFAOYSA-N

SMILES: C(C(O)=O)(=O)C1=CC(F)=C(F)C(F)=C1

Synonyms:

• Benzeneacetic acid, 3,4,5-trifluoro-α-oxo-
• 3,4,5-Trifluoro-α-oxobenzeneacetic acid
• 2-Oxo-2-(3,4,5-trifluorophenyl)acetic acid
• (3,4,5-Trifluorophenyl)glyoxylic acid