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CAS 677713-03-0

:

3-(Difluoromethoxy)-β-oxobenzenepropanenitrile

Description:
3-(Difluoromethoxy)-β-oxobenzenepropanenitrile, with the CAS number 677713-03-0, is a chemical compound characterized by its unique structure that includes a difluoromethoxy group and a β-oxobenzene moiety. This compound typically exhibits properties associated with both aromatic and aliphatic systems, which can influence its reactivity and solubility. The presence of the difluoromethoxy group suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the fluorine atoms' ability to enhance metabolic stability and lipophilicity. Additionally, the nitrile functional group may contribute to the compound's reactivity, allowing for various chemical transformations. The overall molecular structure indicates that it may participate in hydrogen bonding and other intermolecular interactions, which can affect its physical properties such as boiling and melting points. As with many organic compounds, safety and handling precautions should be observed, given the potential toxicity associated with certain functional groups. Further studies would be necessary to fully elucidate its biological activity and potential applications.
Formula:C10H7F2NO2
InChI:InChI=1S/C10H7F2NO2/c11-10(12)15-8-3-1-2-7(6-8)9(14)4-5-13/h1-3,6,10H,4H2
InChI key:InChIKey=VRRBMZZUCRHDSB-UHFFFAOYSA-N
SMILES:C(CC#N)(=O)C1=CC(OC(F)F)=CC=C1
Synonyms:
  • Benzenepropanenitrile, 3-(difluoromethoxy)-β-oxo-
  • 3-(3-Difluoromethoxyphenyl)-3-oxopropionitrile
  • 3-(Difluoromethoxy)-β-oxobenzenepropanenitrile
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