CAS 898786-28-2

6-Chloro-1-[3-(trifluoromethoxy)phenyl]-1-hexanone

Description:

6-Chloro-1-[3-(trifluoromethoxy)phenyl]-1-hexanone, with the CAS number 898786-28-2, is a synthetic organic compound characterized by its unique molecular structure, which includes a hexanone backbone substituted with a chloro group and a trifluoromethoxy phenyl moiety. This compound typically exhibits properties associated with both ketones and aromatic compounds, such as moderate polarity and potential reactivity due to the presence of the carbonyl group. The trifluoromethoxy group enhances its lipophilicity and may influence its biological activity, making it of interest in medicinal chemistry and drug development. The chloro substituent can also affect the compound's electronic properties and reactivity. In terms of physical properties, it may be a solid or liquid at room temperature, depending on its specific formulation and purity. Overall, this compound's unique functional groups suggest potential applications in pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis. However, specific safety and handling guidelines should be followed due to the presence of halogenated components.

Formula: C₁₃H₁₄ClF₃O₂

InChI: InChI=1S/C13H14ClF3O2/c14-8-3-1-2-7-12(18)10-5-4-6-11(9-10)19-13(15,16)17/h4-6,9H,1-3,7-8H2

InChI key: InChIKey=LQUNGNOQEGPKPH-UHFFFAOYSA-N

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

Synonyms:

• 1-Hexanone, 6-chloro-1-[3-(trifluoromethoxy)phenyl]-
• 6-Chloro-1-[3-(trifluoromethoxy)phenyl]-1-hexanone