CAS 898765-78-1

2,2-Dimethyl-1-[2-(trifluoromethyl)phenyl]-1-butanone

Description:

2,2-Dimethyl-1-[2-(trifluoromethyl)phenyl]-1-butanone, identified by its CAS number 898765-78-1, is an organic compound characterized by its ketone functional group. This substance features a butanone backbone with two methyl groups at the second carbon and a phenyl ring substituted with a trifluoromethyl group at the para position. The presence of the trifluoromethyl group imparts unique electronic and steric properties, enhancing the compound's lipophilicity and potentially influencing its reactivity and interactions in various chemical environments. Typically, compounds like this may exhibit significant volatility and may be used in organic synthesis or as intermediates in the production of pharmaceuticals or agrochemicals. Its physical properties, such as boiling point, melting point, and solubility, would depend on the specific molecular interactions and the overall structure. Safety data sheets should be consulted for handling and storage guidelines, as the trifluoromethyl group can also suggest potential toxicity or environmental concerns.

Formula: C₁₃H₁₅F₃O

InChI: InChI=1S/C13H15F3O/c1-4-12(2,3)11(17)9-7-5-6-8-10(9)13(14,15)16/h5-8H,4H2,1-3H3

InChI key: InChIKey=FOBZKAGFLOPEFI-UHFFFAOYSA-N

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

Synonyms:

• 2,2-Dimethyl-1-[2-(trifluoromethyl)phenyl]-1-butanone
• 1-Butanone, 2,2-dimethyl-1-[2-(trifluoromethyl)phenyl]-