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CAS 261762-95-2

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6-Chloro-2-fluoro-3-methylbenzeneacetonitrile

Description:
6-Chloro-2-fluoro-3-methylbenzeneacetonitrile, with the CAS number 261762-95-2, is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with a chlorine atom at the 6-position, a fluorine atom at the 2-position, and a methyl group at the 3-position. The presence of the acetonitrile functional group (-C≡N) contributes to its reactivity and potential applications in organic synthesis and pharmaceuticals. This compound is typically a colorless to pale yellow liquid or solid, depending on its physical state at room temperature. Its molecular structure suggests it may exhibit polar characteristics due to the presence of the nitrile group, influencing its solubility in various solvents. Additionally, the halogen substituents (chlorine and fluorine) can enhance its biological activity and lipophilicity, making it of interest in medicinal chemistry. Safety data should be consulted for handling, as halogenated compounds can pose health risks.
Formula:C9H7ClFN
InChI:InChI=1S/C9H7ClFN/c1-6-2-3-8(10)7(4-5-12)9(6)11/h2-3H,4H2,1H3
InChI key:InChIKey=CLBCEUZXYYSRHL-UHFFFAOYSA-N
SMILES:C(C#N)C1=C(F)C(C)=CC=C1Cl
Synonyms:
  • 6-Chloro-2-fluoro-3-methylbenzeneacetonitrile
  • Benzeneacetonitrile, 6-chloro-2-fluoro-3-methyl-
  • 2-(6-Chloro-2-fluoro-3-methylphenyl)acetonitrile
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