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CAS 258346-69-9

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1-[4-(trifluoromethyl)phenyl]butane-1,3-dione

Description:
1-[4-(Trifluoromethyl)phenyl]butane-1,3-dione, identified by its CAS number 258346-69-9, is an organic compound characterized by its diketone structure, featuring a butane backbone with two carbonyl (C=O) groups at the first and third positions. The presence of a trifluoromethyl group (-CF3) on the phenyl ring significantly influences its chemical properties, enhancing its lipophilicity and potentially altering its reactivity and stability. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its unique structure allows for potential applications in various fields, including pharmaceuticals and agrochemicals, where the trifluoromethyl group can impart desirable biological activity or enhance the compound's efficacy. Additionally, the diketone functionality may participate in various chemical reactions, such as condensation or oxidation, making it a versatile intermediate in synthetic organic chemistry. Safety data should be consulted for handling, as the trifluoromethyl group can contribute to toxicity and environmental concerns.
Formula:C11H9F3O2
InChI:InChI=1/C11H9F3O2/c1-7(15)6-10(16)8-2-4-9(5-3-8)11(12,13)14/h2-5H,6H2,1H3
SMILES:CC(=O)CC(=O)c1ccc(cc1)C(F)(F)F
Synonyms:
  • 1-(4-Trifluoromethylphenyl)butane-1,3-dione
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