CAS 129700-38-5

1-Phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-propanedione

Description:

1-Phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-propanedione, with the CAS number 129700-38-5, is an organic compound characterized by its diketone structure, featuring two phenyl groups and a trifluoromethyl substituent. This compound typically exhibits a yellow to orange color in solid form and is known for its potential applications in organic synthesis and as a building block in pharmaceuticals. The presence of the trifluoromethyl group enhances its lipophilicity and may influence its reactivity and biological activity. The compound is likely to be soluble in organic solvents such as dichloromethane and acetone, while being less soluble in water due to its hydrophobic nature. Its chemical properties include the ability to undergo various reactions typical of diketones, such as condensation and Michael addition. Safety data should be consulted for handling, as compounds with trifluoromethyl groups can exhibit unique toxicological profiles. Overall, this compound is of interest in both academic research and industrial applications due to its structural features and potential reactivity.

Formula: C₁₆H₁₁F₃O₂

InChI: InChI=1S/C16H11F3O2/c17-16(18,19)13-8-6-12(7-9-13)15(21)10-14(20)11-4-2-1-3-5-11/h1-9H,10H2

InChI key: InChIKey=KQACGQITPWZNMG-UHFFFAOYSA-N

SMILES: C(CC(=O)C1=CC=CC=C1)(=O)C2=CC=C(C(F)(F)F)C=C2

Synonyms:

• 1,3-Propanedione, 1-phenyl-3-[4-(trifluoromethyl)phenyl]-
• 1-Phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-propanedione

1,3-Propanedione, 1-phenyl-3-[4-(trifluoromethyl)phenyl]-

CAS: 129700-38-5

Formula: C₁₆H₁₁F₃O₂

Molecular weight: 292.2525

Ref: IN-DA000TLM