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CAS 52695-39-3

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4-(oxiran-2-yl)benzonitrile

Description:
4-(Oxiran-2-yl)benzonitrile, also known by its CAS number 52695-39-3, is an organic compound characterized by the presence of both an epoxide group and a nitrile functional group. The structure consists of a benzene ring substituted with a nitrile (-C≡N) and an epoxide group, which is a three-membered cyclic ether. This compound typically exhibits properties such as being a colorless to pale yellow liquid or solid, depending on its state at room temperature. It is generally soluble in organic solvents but may have limited solubility in water due to its hydrophobic aromatic structure. The presence of the epoxide group suggests potential reactivity, particularly in nucleophilic addition reactions, making it useful in various synthetic applications. Additionally, the nitrile group can participate in further chemical transformations, enhancing its utility in organic synthesis. Safety data should be consulted, as compounds containing epoxide and nitrile functionalities may pose health hazards and require careful handling.
Formula:C9H7NO
InChI:InChI=1/C9H7NO/c10-5-7-1-3-8(4-2-7)9-6-11-9/h1-4,9H,6H2
InChI key:InChIKey=WLNIRLBZLAAEAQ-UHFFFAOYSA-N
SMILES:C(#N)C1=CC=C(C=C1)C2CO2
Synonyms:
  • (4-Cyanophenyl)oxirane
  • 4-(2-Oxiranyl)benzonitrile
  • 4-(Oxiranyl)benzonitrile
  • 4-Oxiran-2-Ylbenzonitrile
  • Benzonitrile, 4-(2-oxiranyl)-
  • Benzonitrile, 4-Oxiranyl-
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