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CAS 402568-10-9

:

ethyl [3,5-bis(trifluoromethyl)phenyl](oxo)acetate

Description:
Ethyl [3,5-bis(trifluoromethyl)phenyl](oxo)acetate is a chemical compound characterized by its unique structure, which includes an ethyl ester functional group and a phenyl ring substituted with two trifluoromethyl groups at the 3 and 5 positions. This substitution significantly enhances the compound's lipophilicity and alters its electronic properties, making it of interest in various chemical applications, including pharmaceuticals and agrochemicals. The presence of the oxo group contributes to its reactivity, potentially allowing for further chemical transformations. The trifluoromethyl groups are known for imparting unique characteristics such as increased metabolic stability and altered solubility. The compound is likely to be a solid or liquid at room temperature, depending on its specific molecular interactions. Its CAS number, 402568-10-9, allows for easy identification in chemical databases. Overall, this compound's distinctive features make it a subject of interest in synthetic organic chemistry and materials science.
Formula:C12H8F6O3
InChI:InChI=1/C12H8F6O3/c1-2-21-10(20)9(19)6-3-7(11(13,14)15)5-8(4-6)12(16,17)18/h3-5H,2H2,1H3
SMILES:CCOC(=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Synonyms:
  • Ethyl 2-[3,5-Bis(Trifluoromethyl)Phenyl]-2-Oxoacetate
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