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CAS 5415-07-6

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β-Oxo-α-phenylbenzenepropanenitrile

Description:
β-Oxo-α-phenylbenzenepropanenitrile, also known by its CAS number 5415-07-6, is an organic compound characterized by its complex structure, which includes a phenyl group, a nitrile functional group, and a ketone moiety. This compound typically appears as a crystalline solid and is soluble in organic solvents, reflecting its hydrophobic nature. The presence of the nitrile group contributes to its reactivity, making it a potential candidate for various chemical reactions, including nucleophilic additions and condensation reactions. The ketone functionality can also participate in enolization and other transformations. β-Oxo-α-phenylbenzenepropanenitrile is often utilized in synthetic organic chemistry, particularly in the development of pharmaceuticals and agrochemicals, due to its ability to serve as an intermediate in the synthesis of more complex molecules. Its physical properties, such as melting point and boiling point, can vary based on purity and specific conditions, but it is generally stable under standard laboratory conditions. Safety data should be consulted for handling and storage guidelines, as with all chemical substances.
Formula:C15H11NO
InChI:InChI=1S/C15H11NO/c16-11-14(12-7-3-1-4-8-12)15(17)13-9-5-2-6-10-13/h1-10,14H
InChI key:InChIKey=JATZBKSNYZHCOC-UHFFFAOYSA-N
SMILES:C(C(=O)C1=CC=CC=C1)(C#N)C2=CC=CC=C2
Synonyms:
  • α-Benzoylphenylacetonitrile
  • α-Cyanodeoxybenzoin
  • β-Oxo-α-phenylbenzenepropanenitrile
  • Acetonitrile, benzoylphenyl-
  • Benzenepropanenitrile, β-oxo-α-phenyl-
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