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CAS 898777-77-0

:

Ethyl ε-oxo-3-(trifluoromethyl)benzenehexanoate

Description:
Ethyl ε-oxo-3-(trifluoromethyl)benzenehexanoate, identified by its CAS number 898777-77-0, is an organic compound characterized by its complex structure, which includes an ethyl ester functional group, a ketone, and a trifluoromethyl group. This compound typically exhibits a moderate to high level of lipophilicity due to the presence of the ethyl ester and the trifluoromethyl group, which can influence its solubility in organic solvents. The trifluoromethyl group is known for imparting unique electronic properties, enhancing the compound's reactivity and stability. Ethyl ε-oxo-3-(trifluoromethyl)benzenehexanoate may be utilized in various chemical syntheses and applications, particularly in the development of pharmaceuticals or agrochemicals, owing to its potential biological activity. Its physical properties, such as boiling point, melting point, and density, would typically be determined through experimental methods, as they can vary based on purity and environmental conditions. Safety data sheets should be consulted for handling and storage guidelines, as compounds with trifluoromethyl groups can exhibit specific hazards.
Formula:C15H17F3O3
InChI:InChI=1S/C15H17F3O3/c1-2-21-14(20)9-4-3-8-13(19)11-6-5-7-12(10-11)15(16,17)18/h5-7,10H,2-4,8-9H2,1H3
InChI key:InChIKey=CPOWYRQGDVAMAL-UHFFFAOYSA-N
SMILES:C(CCCCC(OCC)=O)(=O)C1=CC(C(F)(F)F)=CC=C1
Synonyms:
  • Benzenehexanoic acid, ε-oxo-3-(trifluoromethyl)-, ethyl ester
  • Ethyl ε-oxo-3-(trifluoromethyl)benzenehexanoate
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