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CAS 261951-87-5

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4-Methoxy-3-trifluoromethylbenzonitrile

Description:
4-Methoxy-3-trifluoromethylbenzonitrile, with the CAS number 261951-87-5, is an organic compound characterized by its aromatic structure, which includes a methoxy group (-OCH3) and a trifluoromethyl group (-CF3) attached to a benzene ring, along with a nitrile group (-CN). This compound typically exhibits a high degree of lipophilicity due to the presence of the trifluoromethyl group, which can enhance its biological activity and stability. The nitrile functional group contributes to its polar character, making it soluble in polar organic solvents. The methoxy group can influence the electronic properties of the molecule, potentially affecting its reactivity and interaction with biological targets. 4-Methoxy-3-trifluoromethylbenzonitrile is of interest in various fields, including pharmaceuticals and agrochemicals, due to its potential applications in drug design and development. Its unique combination of functional groups may impart specific properties that are valuable in synthetic chemistry and material science.
Formula:C9H6F3NO
InChI:InChI=1S/C9H6F3NO/c1-14-8-3-2-6(5-13)4-7(8)9(10,11)12/h2-4H,1H3
InChI key:InChIKey=FLHQJZPLFRIGOT-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=C(OC)C=CC(C#N)=C1
Synonyms:
  • 4-Methoxy-3-trifluoromethylbenzonitrile
  • 5-Cyano-2-methoxybenzotrifluoride
  • Benzonitrile, 4-methoxy-3-(trifluoromethyl)-
  • Ncr Do1 Cxfff
  • 4-Methoxy-3-(trifluoromethyl)benzonitrile
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