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CAS 916420-56-9

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3-Methyl-5-(trifluoromethoxy)benzeneacetonitrile

Description:
3-Methyl-5-(trifluoromethoxy)benzeneacetonitrile, with the CAS number 916420-56-9, is an organic compound characterized by its aromatic structure, which includes a methyl group and a trifluoromethoxy substituent on a benzene ring. This compound features a nitrile functional group, which contributes to its reactivity and potential applications in organic synthesis and pharmaceuticals. The presence of the trifluoromethoxy group enhances its lipophilicity and may influence its biological activity, making it of interest in medicinal chemistry. The compound is likely to be a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. Its molecular structure suggests that it may exhibit interesting electronic properties due to the electron-withdrawing nature of the trifluoromethoxy group. As with many nitriles, it may have a characteristic odor and should be handled with care due to potential toxicity. Overall, 3-Methyl-5-(trifluoromethoxy)benzeneacetonitrile represents a valuable compound for research and development in various chemical fields.
Formula:C10H8F3NO
InChI:InChI=1S/C10H8F3NO/c1-7-4-8(2-3-14)6-9(5-7)15-10(11,12)13/h4-6H,2H2,1H3
InChI key:InChIKey=QVUHRNMOVVDGKT-UHFFFAOYSA-N
SMILES:O(C(F)(F)F)C1=CC(CC#N)=CC(C)=C1
Synonyms:
  • Benzeneacetonitrile, 3-methyl-5-(trifluoromethoxy)-
  • 3-Methyl-5-(trifluoromethoxy)benzeneacetonitrile
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