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CAS 1000339-93-4

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4-Fluoro-2-(hydroxymethyl)benzonitrile

Description:
4-Fluoro-2-(hydroxymethyl)benzonitrile is an organic compound characterized by the presence of a fluorine atom, a hydroxymethyl group, and a nitrile functional group attached to a benzene ring. Its molecular structure features a benzene ring substituted at the 4-position with a fluorine atom and at the 2-position with a hydroxymethyl group, along with a nitrile group (-C≡N) that contributes to its reactivity and potential applications. This compound is typically a white to off-white solid and is soluble in polar organic solvents. The presence of the hydroxymethyl group enhances its potential for further chemical modifications, while the nitrile group can participate in nucleophilic reactions. Due to its unique functional groups, 4-Fluoro-2-(hydroxymethyl)benzonitrile may be of interest in pharmaceutical and agrochemical research, particularly in the synthesis of biologically active molecules. Safety data should be consulted for handling and storage, as with all chemical substances.
Formula:C8H6FNO
InChI:InChI=1S/C8H6FNO/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3,11H,5H2
InChI key:InChIKey=NJSSPVGHLXWQFD-UHFFFAOYSA-N
SMILES:C(#N)C1=C(CO)C=C(F)C=C1
Synonyms:
  • Benzonitrile, 4-fluoro-2-(hydroxymethyl)-
  • 4-Fluoro-2-(hydroxymethyl)benzonitrile
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