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CAS 61560-95-0

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α-Oxo-3-(trifluoromethyl)benzeneacetic acid

Description:
α-Oxo-3-(trifluoromethyl)benzeneacetic acid, with the CAS number 61560-95-0, is an organic compound characterized by the presence of a trifluoromethyl group and a ketone functional group adjacent to a carboxylic acid. This compound typically exhibits a white to off-white crystalline appearance and is soluble in polar organic solvents. The trifluoromethyl group enhances its lipophilicity and can influence its reactivity and biological activity, making it of interest in pharmaceutical and agrochemical research. The presence of the α-oxo group suggests potential reactivity in various chemical transformations, including nucleophilic additions and condensation reactions. Additionally, the carboxylic acid functionality can participate in hydrogen bonding, affecting its solubility and interaction with biological systems. Overall, α-Oxo-3-(trifluoromethyl)benzeneacetic acid is a versatile compound with applications in synthetic chemistry and potential implications in medicinal chemistry due to its unique structural features.
Formula:C9H5F3O3
InChI:InChI=1S/C9H5F3O3/c10-9(11,12)6-3-1-2-5(4-6)7(13)8(14)15/h1-4H,(H,14,15)
InChI key:InChIKey=APJFBBHXNCTOGI-UHFFFAOYSA-N
SMILES:C(C(O)=O)(=O)C1=CC(C(F)(F)F)=CC=C1
Synonyms:
  • 2-Oxo-2-[3-(trifluoromethyl)phenyl]acetic acid
  • 2-[3-(Trifluoromethyl)phenyl]-2-oxoacetic acid
  • 3-(Trifluoromethyl)phenylglyoxylic acid
  • α-oxo-3-(trifluoromethyl)-Benzeneacetic acid
  • Benzeneacetic acid, α-oxo-3-(trifluoromethyl)-
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