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CAS 29681-98-9

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1-(4-fluorophenyl)butane-1,3-dione

Description:
1-(4-Fluorophenyl)butane-1,3-dione, with the CAS number 29681-98-9, is an organic compound characterized by its diketone structure, featuring a butane backbone with two carbonyl (C=O) groups located at the first and third positions. The presence of a 4-fluorophenyl group at the first position introduces both steric and electronic effects, influencing the compound's reactivity and properties. This compound is typically a yellow to orange solid at room temperature and is soluble in organic solvents such as ethanol and acetone, but may have limited solubility in water due to its hydrophobic characteristics. Its chemical behavior is influenced by the electron-withdrawing fluorine atom, which can enhance the acidity of the hydrogen atoms adjacent to the carbonyl groups. 1-(4-Fluorophenyl)butane-1,3-dione is of interest in various fields, including medicinal chemistry and materials science, due to its potential applications in synthesizing pharmaceuticals and functional materials. Proper handling and storage are essential, as with many organic compounds, to ensure safety and stability.
Formula:C10H9FO2
InChI:InChI=1/C10H9FO2/c1-7(12)6-10(13)8-2-4-9(11)5-3-8/h2-5H,6H2,1H3
SMILES:CC(=O)CC(=O)c1ccc(cc1)F
Synonyms:
  • 1-(4-Fluoro-phenyl)-butane-1,3-dione
  • 4-(4-Fluorophenyl)-4-Hydroxybut-3-En-2-One
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