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CAS 886500-98-7

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2-Chloro-6-fluoro-3-methylbenzonitrile

Description:
2-Chloro-6-fluoro-3-methylbenzonitrile is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with a chloro group, a fluoro group, and a methyl group, along with a nitrile functional group. The presence of the chloro and fluoro substituents introduces significant polarity and can influence the compound's reactivity and solubility in various solvents. The nitrile group (-C≡N) contributes to the compound's potential as a building block in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. This compound is typically a solid at room temperature and may exhibit moderate to high stability under standard conditions. Its molecular structure suggests potential applications in medicinal chemistry, where the unique combination of halogen and nitrile functionalities can enhance biological activity. Safety data should be consulted for handling, as halogenated compounds can pose health risks. Overall, 2-Chloro-6-fluoro-3-methylbenzonitrile is a versatile compound with notable chemical properties relevant to various fields of research and industry.
Formula:C8H5ClFN
InChI:InChI=1/C8H5ClFN/c1-5-2-3-7(10)6(4-11)8(5)9/h2-3H,1H3
InChI key:InChIKey=UHLLSLUQSGFENQ-UHFFFAOYSA-N
SMILES:C(#N)C1=C(Cl)C(C)=CC=C1F
Synonyms:
  • Benzonitrile, 2-Chloro-6-Fluoro-3-Methyl-
  • Ncr Bg Ff C1
  • 2-Chloro-6-fluoro-3-methylbenzonitrile
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