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CAS 1208076-36-1

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2-Ethynyl-4-fluorobenzonitrile

Description:
2-Ethynyl-4-fluorobenzonitrile is an organic compound characterized by its unique functional groups and structural features. It contains a benzene ring substituted with both an ethynyl group and a fluorine atom, as well as a nitrile group. The presence of the ethynyl group introduces a triple bond, contributing to the compound's reactivity and potential applications in organic synthesis. The fluorine atom enhances the compound's electronegativity, which can influence its chemical behavior and interactions with other molecules. The nitrile group, characterized by the presence of a carbon triple-bonded to a nitrogen atom, imparts additional polarity and can participate in various chemical reactions, including nucleophilic additions. This compound may be utilized in pharmaceutical research, materials science, or as an intermediate in the synthesis of more complex organic molecules. Its specific properties, such as solubility, melting point, and boiling point, would depend on the molecular interactions and the overall structure, making it a subject of interest in both academic and industrial chemistry.
Formula:C9H4FN
InChI:InChI=1S/C9H4FN/c1-2-7-5-9(10)4-3-8(7)6-11/h1,3-5H
InChI key:InChIKey=OLSQRJLNDYLNHL-UHFFFAOYSA-N
SMILES:C(#N)C1=C(C#C)C=C(F)C=C1
Synonyms:
  • Benzonitrile, 2-ethynyl-4-fluoro-
  • 2-Ethynyl-4-fluorobenzonitrile
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