CAS 898793-03-8

Ethyl η-oxo-3,5-bis(trifluoromethyl)benzeneoctanoate

Description:

Ethyl η-oxo-3,5-bis(trifluoromethyl)benzeneoctanoate, identified by its CAS number 898793-03-8, is a synthetic organic compound characterized by its complex structure, which includes an ethyl ester functional group and a benzene ring substituted with two trifluoromethyl groups. The presence of these trifluoromethyl groups imparts unique electronic and steric properties, enhancing the compound's lipophilicity and potentially influencing its reactivity and interactions in various chemical environments. The octanoate portion of the molecule contributes to its fatty acid characteristics, which may affect its solubility and behavior in biological systems. This compound may be of interest in fields such as medicinal chemistry, agrochemicals, or materials science due to its potential applications in drug development or as a building block in organic synthesis. However, specific data regarding its physical properties, such as boiling point, melting point, and solubility, would require further investigation or experimental determination. Safety and handling precautions should be observed, as with any chemical substance, particularly those with fluorinated groups.

Formula: C₁₈H₂₀F₆O₃

InChI: InChI=1S/C18H20F6O3/c1-2-27-16(26)8-6-4-3-5-7-15(25)12-9-13(17(19,20)21)11-14(10-12)18(22,23)24/h9-11H,2-8H2,1H3

InChI key: InChIKey=ICLFRKXQUBFXJH-UHFFFAOYSA-N

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

Synonyms:

• Benzeneoctanoic acid, η-oxo-3,5-bis(trifluoromethyl)-, ethyl ester
• Ethyl η-oxo-3,5-bis(trifluoromethyl)benzeneoctanoate