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CAS 886503-13-5

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2,6-Dichloro-4-(trifluoromethoxy)benzeneacetonitrile

Description:
2,6-Dichloro-4-(trifluoromethoxy)benzeneacetonitrile, with the CAS number 886503-13-5, is an organic compound characterized by its complex structure, which includes a benzene ring substituted with two chlorine atoms and a trifluoromethoxy group, along with an acetonitrile functional group. This compound is typically a solid at room temperature and exhibits a relatively high melting point due to the presence of multiple halogen substituents, which can enhance intermolecular interactions. The trifluoromethoxy group contributes to its unique electronic properties, making it potentially useful in various chemical applications, including agrochemicals and pharmaceuticals. The presence of chlorine and fluorine atoms also suggests that it may exhibit significant lipophilicity and stability under certain conditions. Additionally, the compound's nitrile group can participate in various chemical reactions, making it versatile in synthetic chemistry. Safety data should be consulted for handling, as halogenated compounds can pose environmental and health risks.
Formula:C9H4Cl2F3NO
InChI:InChI=1S/C9H4Cl2F3NO/c10-7-3-5(16-9(12,13)14)4-8(11)6(7)1-2-15/h3-4H,1H2
InChI key:InChIKey=CAYWAGKSHGLSJS-UHFFFAOYSA-N
SMILES:C(C#N)C1=C(Cl)C=C(OC(F)(F)F)C=C1Cl
Synonyms:
  • 2,6-Dichloro-4-(trifluoromethoxy)benzeneacetonitrile
  • Benzeneacetonitrile, 2,6-dichloro-4-(trifluoromethoxy)-
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