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CAS 886502-19-8

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6-Chloro-2-fluoro-3-methylbenzonitrile

Description:
6-Chloro-2-fluoro-3-methylbenzonitrile is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with a chlorine atom, a fluorine atom, 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 allows for various interactions, making it useful in applications such as medicinal chemistry, where it may serve as a precursor for more complex molecules. Additionally, the specific arrangement of substituents can affect its biological activity, making it a subject of interest in research focused on drug design and development.
Formula:C8H5ClFN
InChI:InChI=1S/C8H5ClFN/c1-5-2-3-7(9)6(4-11)8(5)10/h2-3H,1H3
InChI key:InChIKey=ZZIYYBYHLBGXCD-UHFFFAOYSA-N
SMILES:C(#N)C1=C(F)C(C)=CC=C1Cl
Synonyms:
  • 6-Chloro-2-fluoro-3-methylbenzonitrile
  • Benzonitrile, 6-chloro-2-fluoro-3-methyl-
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