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CAS 1207875-88-4

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4-Chloro-2-fluoro-3-methylbenzonitrile

Description:
4-Chloro-2-fluoro-3-methylbenzonitrile is an aromatic compound characterized by the presence of a benzonitrile structure, which consists of a benzene ring substituted with a nitrile group (–C≡N) and various halogen and alkyl groups. Specifically, this compound features a chlorine atom at the para position, a fluorine atom at the ortho position, and a methyl group at the meta position relative to the nitrile group on the benzene ring. The presence of these substituents influences its chemical reactivity, polarity, and potential applications in organic synthesis and pharmaceuticals. The compound is likely to exhibit moderate to high stability due to the resonance stabilization of the aromatic system, while the electronegative halogens can affect its electronic properties, making it a useful intermediate in the synthesis of more complex molecules. Additionally, its physical properties, such as boiling point and solubility, would be influenced by the substituents and the overall molecular structure. Safety data and handling precautions should be considered due to the presence of halogenated groups.
Formula:C8H5ClFN
InChI:InChI=1S/C8H5ClFN/c1-5-7(9)3-2-6(4-11)8(5)10/h2-3H,1H3
InChI key:InChIKey=XKUNOCMBKZJSKS-UHFFFAOYSA-N
SMILES:C(#N)C1=C(F)C(C)=C(Cl)C=C1
Synonyms:
  • 4-Chloro-2-fluoro-3-methylbenzonitrile
  • Benzonitrile, 4-chloro-2-fluoro-3-methyl-
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