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CAS 461-92-7

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1,1,1-Trifluoro-6-methyl-2,4-heptanedione

Description:
1,1,1-Trifluoro-6-methyl-2,4-heptanedione, with the CAS number 461-92-7, is an organic compound characterized by its unique trifluoromethyl group and diketone structure. This compound features a heptanedione backbone, which includes two carbonyl (C=O) functional groups located at the 2 and 4 positions, contributing to its reactivity and potential applications in organic synthesis. The presence of the trifluoromethyl group enhances its lipophilicity and can influence its chemical behavior, making it useful in various chemical reactions, including as a reagent in the synthesis of fluorinated compounds. Additionally, the methyl group at the 6 position can affect the steric and electronic properties of the molecule. 1,1,1-Trifluoro-6-methyl-2,4-heptanedione is typically a colorless liquid or solid, depending on the temperature, and is known for its stability under standard conditions. However, like many fluorinated compounds, it should be handled with care due to potential toxicity and environmental concerns associated with fluorinated substances.
Formula:C8H11F3O2
InChI:InChI=1S/C8H11F3O2/c1-5(2)3-6(12)4-7(13)8(9,10)11/h5H,3-4H2,1-2H3
InChI key:InChIKey=XWBVTGFPQXBNOZ-UHFFFAOYSA-N
SMILES:C(C(C(F)(F)F)=O)C(CC(C)C)=O
Synonyms:
  • 1,1,1-Trifluoro-6-methyl-2,4-heptanedione
  • 1,1,1-Trifluoro-6-methylheptan-2,4-dione
  • 2,4-Heptanedione, 1,1,1-trifluoro-6-methyl-
  • Isovaleryltrifluoroacetone
  • Nsc 42614
  • Trifluoroacetylisovaleroylmethane
  • Trifluoroacetylisovalerylmethane
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