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CAS 731002-49-6

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5-Hydroxy-2-(trifluoromethyl)benzonitrile

Description:
5-Hydroxy-2-(trifluoromethyl)benzonitrile, with the CAS number 731002-49-6, is an organic compound characterized by the presence of a hydroxyl group (-OH) and a trifluoromethyl group (-CF3) attached to a benzene ring that also contains a nitrile group (-C≡N). This compound typically exhibits properties associated with both aromatic compounds and functional groups present in its structure. The hydroxyl group contributes to its potential as a hydrogen bond donor, while the trifluoromethyl group can enhance lipophilicity and influence the compound's reactivity and stability. The nitrile group adds to the compound's polarity and can participate in various chemical reactions, such as nucleophilic additions. Overall, 5-Hydroxy-2-(trifluoromethyl)benzonitrile is of interest in various fields, including pharmaceuticals and materials science, due to its unique electronic properties and potential applications in synthesis and as a building block for more complex molecules.
Formula:C8H4F3NO
InChI:InChI=1S/C8H4F3NO/c9-8(10,11)7-2-1-6(13)3-5(7)4-12/h1-3,13H
InChI key:InChIKey=SEJXZAMRJHXMIT-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=C(C#N)C=C(O)C=C1
Synonyms:
  • 5-Hydroxy-2-(trifluoromethyl)benzonitrile
  • Benzonitrile, 5-hydroxy-2-(trifluoromethyl)-
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