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CAS 147754-12-9

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4-Fluoro-2-methylbenzonitrile

Description:
4-Fluoro-2-methylbenzonitrile is an aromatic compound characterized by the presence of a fluorine atom and a nitrile group attached to a methyl-substituted benzene ring. Its molecular structure consists of a benzene ring with a methyl group at the 2-position and a fluorine atom at the 4-position, along with a cyano group (-C≡N) that contributes to its chemical reactivity and properties. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its physical state at room temperature. It is known for its applications in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals, due to the presence of the nitrile functional group, which can participate in various chemical reactions. Additionally, the fluorine substituent can influence the compound's electronic properties, making it useful in fine chemical synthesis. Safety data indicates that it should be handled with care, as it may pose health risks upon exposure.
Formula:C8H6FN
InChI:InChI=1S/C8H6FN/c1-6-4-8(9)3-2-7(6)5-10/h2-4H,1H3
InChI key:InChIKey=BJBXUIUJKPOZLV-UHFFFAOYSA-N
SMILES:C(#N)C1=C(C)C=C(F)C=C1
Synonyms:
  • 2-Methy-4-Fluoro benzonitrile
  • 2-Methyl-4-Fluorobenzonitrile
  • 4-Bromo-1,1-Difluorobut-1-Ene
  • Benzonitrile, 4-fluoro-2-methyl-
  • 4-Fluoro-2-methylbenzonitrile
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