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CAS 868167-61-7

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3-Methoxy-5-(trifluoromethyl)benzonitrile

Description:
3-Methoxy-5-(trifluoromethyl)benzonitrile 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. The presence of the cyano group (-C≡N) contributes to its reactivity and polarity. This compound typically exhibits a high degree of lipophilicity due to the trifluoromethyl group, which can enhance its biological activity and influence its solubility in organic solvents. The methoxy group can also participate in various chemical reactions, such as nucleophilic substitutions or electrophilic aromatic substitutions. 3-Methoxy-5-(trifluoromethyl)benzonitrile may be utilized in the synthesis of pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis. Its unique combination of functional groups can impart specific electronic properties, making it a subject of interest in medicinal chemistry and materials science. Safety data should be consulted for handling and storage, as with any chemical substance.
Formula:C9H6F3NO
InChI:InChI=1S/C9H6F3NO/c1-14-8-3-6(5-13)2-7(4-8)9(10,11)12/h2-4H,1H3
InChI key:InChIKey=DSMSXBUFGYTQPM-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=CC(C#N)=CC(OC)=C1
Synonyms:
  • 3-Methoxy-5-(trifluoromethyl)benzonitrile
  • Benzonitrile, 3-methoxy-5-(trifluoromethyl)-
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