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CAS 1000577-68-3

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3-Chloro-2-fluoro-6-iodobenzonitrile

Description:
3-Chloro-2-fluoro-6-iodobenzonitrile is an organic compound characterized by the presence of a benzene ring substituted with three halogen atoms and a nitrile group. The compound features a chlorine atom at the meta position (3), a fluorine atom at the ortho position (2), and an iodine atom at the para position (6) relative to the nitrile group (–C≡N). This unique arrangement of substituents contributes to its chemical reactivity and physical properties. The presence of multiple halogens can enhance the compound's lipophilicity and influence its interactions in biological systems, making it of interest in medicinal chemistry and material science. The nitrile functional group imparts polar characteristics, which can affect solubility in various solvents. Additionally, the compound may exhibit interesting electronic properties due to the electron-withdrawing nature of the halogens, potentially making it useful in the synthesis of more complex molecules or as a building block in organic synthesis. Safety and handling precautions should be observed due to the presence of halogens, which can be hazardous.
Formula:C7H2ClFIN
InChI:InChI=1S/C7H2ClFIN/c8-5-1-2-6(10)4(3-11)7(5)9/h1-2H
InChI key:InChIKey=VRQDSPDXKQJULR-UHFFFAOYSA-N
SMILES:C(#N)C1=C(F)C(Cl)=CC=C1I
Synonyms:
  • 3-Chloro-2-fluoro-6-iodobenzonitrile
  • Benzonitrile, 3-chloro-2-fluoro-6-iodo-
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