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CAS 96220-15-4

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4-Ethyl-β-oxobenzenepropanenitrile

Description:
4-Ethyl-β-oxobenzenepropanenitrile, also known by its CAS number 96220-15-4, is an organic compound characterized by its unique structure, which includes an ethyl group, a ketone functional group, and a nitrile group. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its specific form and purity. It is soluble in organic solvents, which makes it useful in various chemical reactions and applications. The presence of the nitrile group indicates potential reactivity, particularly in nucleophilic addition reactions. Additionally, the β-oxoketone structure suggests that it may participate in condensation reactions or serve as a precursor in synthetic organic chemistry. Safety data should be consulted for handling, as compounds with similar functional groups can exhibit toxicity or irritant properties. Overall, 4-Ethyl-β-oxobenzenepropanenitrile is of interest in both academic research and industrial applications, particularly in the synthesis of pharmaceuticals and agrochemicals.
Formula:C11H11NO
InChI:InChI=1S/C11H11NO/c1-2-9-3-5-10(6-4-9)11(13)7-8-12/h3-6H,2,7H2,1H3
InChI key:InChIKey=WIHQQWBHEUCYCJ-UHFFFAOYSA-N
SMILES:C(CC#N)(=O)C1=CC=C(CC)C=C1
Synonyms:
  • 4-Ethyl-β-oxobenzenepropanenitrile
  • Benzenepropanenitrile, 4-ethyl-beta-oxo-
  • Benzenepropanenitrile, 4-ethyl-β-oxo-
  • 3-(4-Ethylphenyl)-3-oxopropanenitrile
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