CAS 898783-64-7

4-Chloro-1-[2-(trifluoromethyl)phenyl]-1-butanone

Description:

4-Chloro-1-[2-(trifluoromethyl)phenyl]-1-butanone is an organic compound characterized by its unique molecular structure, which includes a butanone backbone substituted with a chloro group and a trifluoromethylphenyl moiety. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its physical state at room temperature. It is known for its potential applications in pharmaceuticals and agrochemicals due to the presence of the trifluoromethyl group, which can enhance biological activity and lipophilicity. The chloro substituent may also influence its reactivity and interaction with biological targets. In terms of solubility, it is generally soluble in organic solvents but may have limited solubility in water. Safety data indicates that, like many halogenated compounds, it should be handled with care due to potential toxicity and environmental concerns. Proper storage and handling protocols are essential to mitigate risks associated with exposure. Overall, this compound represents a valuable structure in synthetic organic chemistry and medicinal chemistry research.

Formula: C₁₁H₁₀ClF₃O

InChI: InChI=1S/C11H10ClF3O/c12-7-3-6-10(16)8-4-1-2-5-9(8)11(13,14)15/h1-2,4-5H,3,6-7H2

InChI key: InChIKey=PQYNOJVTECVSNJ-UHFFFAOYSA-N

SMILES: C(CCCCl)(=O)C1=C(C(F)(F)F)C=CC=C1

Synonyms:

• 4-Chloro-1-[2-(trifluoromethyl)phenyl]-1-butanone
• 1-Butanone, 4-chloro-1-[2-(trifluoromethyl)phenyl]-