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CAS 1021871-35-1

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3-Chloro-5-(hydroxymethyl)benzonitrile

Description:
3-Chloro-5-(hydroxymethyl)benzonitrile is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with a chlorine atom, a hydroxymethyl group, and a nitrile group. The presence of the chlorine atom at the meta position relative to the hydroxymethyl group influences the compound's reactivity and polarity. The hydroxymethyl group (-CH2OH) introduces a functional group that can participate in hydrogen bonding, enhancing the compound's solubility in polar solvents. The nitrile group (-C≡N) contributes to the compound's overall polarity and can participate in various chemical reactions, such as nucleophilic additions. This compound may be of interest in pharmaceutical and agrochemical research due to its potential biological activity and utility as an intermediate in synthetic pathways. Its physical properties, such as melting point, boiling point, and solubility, would depend on the specific molecular interactions and the presence of functional groups. Safety data should be consulted for handling and storage, as with any chemical substance.
Formula:C8H6ClNO
InChI:InChI=1S/C8H6ClNO/c9-8-2-6(4-10)1-7(3-8)5-11/h1-3,11H,5H2
InChI key:InChIKey=XNOWXYQLTYKTNC-UHFFFAOYSA-N
SMILES:C(#N)C1=CC(CO)=CC(Cl)=C1
Synonyms:
  • Benzonitrile, 3-chloro-5-(hydroxymethyl)-
  • 5-Chloro-3-(hydroxymethyl)benzonitrile
  • 3-Chloro-5-(hydroxymethyl)benzonitrile
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