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CAS 731002-50-9

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3-Hydroxy-4-(trifluoromethyl)benzonitrile

Description:
3-Hydroxy-4-(trifluoromethyl)benzonitrile, with the CAS number 731002-50-9, 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 nitriles, such as stability and potential reactivity under certain conditions. The trifluoromethyl group imparts unique electronic properties, enhancing the compound's lipophilicity and potentially influencing its biological activity. The hydroxyl group can participate in hydrogen bonding, affecting solubility and reactivity. 3-Hydroxy-4-(trifluoromethyl)benzonitrile may be utilized in various applications, including pharmaceuticals, agrochemicals, and materials science, due to its functional groups that can facilitate further chemical transformations. Its synthesis and handling require standard laboratory safety protocols, given the presence of the nitrile group, which can be toxic. Overall, this compound represents a versatile building block in organic synthesis and medicinal chemistry.
Formula:C8H4F3NO
InChI:InChI=1S/C8H4F3NO/c9-8(10,11)6-2-1-5(4-12)3-7(6)13/h1-3,13H
InChI key:InChIKey=PDMCDRCXQZBLGY-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=C(O)C=C(C#N)C=C1
Synonyms:
  • 3-Hydroxy-4-(trifluoromethyl)benzonitrile
  • Benzonitrile, 3-hydroxy-4-(trifluoromethyl)-
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