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CAS 81465-88-5

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2-Hydroxy-4-(trifluoromethyl)benzonitrile

Description:
2-Hydroxy-4-(trifluoromethyl)benzonitrile, with the CAS number 81465-88-5, is an organic compound characterized by the presence of a hydroxyl group (-OH), a trifluoromethyl group (-CF3), and a nitrile group (-C≡N) attached to a benzene ring. This compound typically appears as a solid and is known for its potential applications in pharmaceuticals and agrochemicals due to its unique functional groups, which can influence its reactivity and biological activity. The hydroxyl group can participate in hydrogen bonding, enhancing solubility in polar solvents, while the trifluoromethyl group can impart lipophilicity and influence the electronic properties of the molecule. The nitrile group contributes to the compound's overall polarity and can serve as a site for further chemical modifications. Additionally, the presence of fluorine atoms often enhances the stability and metabolic resistance of the compound. Overall, 2-Hydroxy-4-(trifluoromethyl)benzonitrile is a versatile compound with significant interest in various chemical research fields.
Formula:C8H4F3NO
InChI:InChI=1S/C8H4F3NO/c9-8(10,11)6-2-1-5(4-12)7(13)3-6/h1-3,13H
InChI key:InChIKey=PAPVLFUKQAEGSC-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=CC(O)=C(C#N)C=C1
Synonyms:
  • 2-Cyano-5-trifluoromethylphenol
  • 2-Hydroxy-4-(trifluoromethyl)benzonitrile
  • Benzonitrile, 2-hydroxy-4-(trifluoromethyl)-
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