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CAS 52805-46-6

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3-Hydroxy-4-methoxybenzonitrile

Description:
3-Hydroxy-4-methoxybenzonitrile, with the CAS number 52805-46-6, is an organic compound characterized by the presence of a hydroxyl group (-OH) and a methoxy group (-OCH3) attached to a benzene ring, along with a nitrile group (-C≡N). This compound typically appears as a solid at room temperature and is soluble in polar organic solvents. Its molecular structure suggests it may exhibit both acidic and basic properties due to the hydroxyl group, which can participate in hydrogen bonding. The presence of the nitrile group contributes to its potential reactivity, making it useful in various chemical syntheses. Additionally, the methoxy group can influence the compound's electronic properties, affecting its reactivity and interaction with other molecules. 3-Hydroxy-4-methoxybenzonitrile may find applications in pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis, owing to its functional groups that can undergo further chemical transformations. Safety data should be consulted for handling and usage, as with any chemical substance.
Formula:C8H7NO2
InChI:InChI=1S/C8H7NO2/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4,10H,1H3
InChI key:InChIKey=ASQHIJLQYYFUDN-UHFFFAOYSA-N
SMILES:C(#N)C1=CC(O)=C(OC)C=C1
Synonyms:
  • 2-Methoxy-5-cyanophenol
  • 3-Hydroxy-4-Methoxybenzonitrile (Isovanillonitrile)
  • 5-Cyano-2-methoxyphenol
  • Benzonitrile, 3-hydroxy-4-methoxy-
  • Isovanillonitrile
  • 3-Hydroxy-4-methoxybenzonitrile
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