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CAS 886500-03-4

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2-Methoxy-5-(trifluoromethoxy)benzonitrile

Description:
2-Methoxy-5-(trifluoromethoxy)benzonitrile is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with both a methoxy group and a trifluoromethoxy group, along with a nitrile functional group. The presence of the methoxy group (-OCH3) enhances the compound's solubility in organic solvents and can influence its reactivity and interaction with other molecules. The trifluoromethoxy group (-OCF3) introduces significant electronegativity due to the fluorine atoms, which can affect the compound's electronic properties, making it more polar and potentially increasing its reactivity in nucleophilic substitution reactions. The nitrile group (-C≡N) contributes to the compound's overall polarity and can participate in various chemical reactions, including hydrolysis and reduction. This compound may be of interest in pharmaceutical and agrochemical research due to its unique structural features, which can lead to specific biological activities or applications in material science. Its CAS number, 886500-03-4, allows for easy identification in chemical databases and literature.
Formula:C9H6F3NO2
InChI:InChI=1/C9H6F3NO2/c1-14-8-3-2-7(4-6(8)5-13)15-9(10,11)12/h2-4H,1H3
SMILES:COc1ccc(cc1C#N)OC(F)(F)F
Synonyms:
  • Benzonitrile, 2-methoxy-5-(trifluoromethoxy)-
  • Ncr Bo1 Eoxfff
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