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CAS 518070-21-8

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3-Fluoro-5-methylbenzeneacetonitrile

Description:
3-Fluoro-5-methylbenzeneacetonitrile, with the CAS number 518070-21-8, is an organic compound characterized by its aromatic structure and functional groups. It features a benzene ring substituted with a fluorine atom at the meta position and a methyl group at the para position relative to the acetonitrile group. This compound is typically a colorless to pale yellow liquid or solid, depending on its purity and temperature. It is known for its potential applications in pharmaceuticals and agrochemicals due to the presence of the nitrile group, which can participate in various chemical reactions, including nucleophilic additions and cycloadditions. The fluorine atom enhances the compound's lipophilicity and can influence its biological activity. As with many nitriles, it may exhibit moderate toxicity, and appropriate safety measures should be taken when handling it. Its synthesis often involves the introduction of the fluorine atom and the acetonitrile group through specific organic reactions, making it a compound of interest in synthetic organic chemistry.
Formula:C9H8FN
InChI:InChI=1S/C9H8FN/c1-7-4-8(2-3-11)6-9(10)5-7/h4-6H,2H2,1H3
InChI key:InChIKey=YFJTYGYGDNXMML-UHFFFAOYSA-N
SMILES:C(C#N)C1=CC(C)=CC(F)=C1
Synonyms:
  • 3-Fluoro-5-methylbenzeneacetonitrile
  • Benzeneacetonitrile, 3-fluoro-5-methyl-
  • 2-(3-Fluoro-5-methylphenyl)acetonitrile
  • (3-Fluoro-5-methylphenyl)acetonitrile
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