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CAS 872122-56-0

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3-Ethynyl-5-fluorobenzonitrile

Description:
3-Ethynyl-5-fluorobenzonitrile is an organic compound characterized by its unique structure, which includes a fluorine atom, a cyano group, and an ethynyl substituent on a benzene ring. 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 lipophilicity and can influence its electronic properties, making it useful in medicinal chemistry and material science. The cyano group (-C≡N) is known for its ability to participate in various chemical reactions, including nucleophilic additions and cycloadditions. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its unique combination of functional groups makes it a valuable intermediate in the synthesis of pharmaceuticals and agrochemicals. Safety data should be consulted for handling, as compounds containing cyano groups can be toxic. Overall, 3-Ethynyl-5-fluorobenzonitrile is a versatile compound with significant implications in chemical research and development.
Formula:C9H4FN
InChI:InChI=1S/C9H4FN/c1-2-7-3-8(6-11)5-9(10)4-7/h1,3-5H
InChI key:InChIKey=LVUGFKAMNCTGTR-UHFFFAOYSA-N
SMILES:C(#C)C1=CC(C#N)=CC(F)=C1
Synonyms:
  • 3-Ethynyl-5-fluorobenzonitrile
  • Benzonitrile, 3-ethynyl-5-fluoro-
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