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CAS 289039-29-8

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2-Chloro-5-iodobenzonitrile

Description:
2-Chloro-5-iodobenzonitrile is an organic compound characterized by the presence of both chlorine and iodine substituents on a benzene ring, along with a nitrile functional group. Its molecular structure features a benzene ring with a cyano group (-C≡N) attached to one carbon and halogen substituents at the 2 and 5 positions. This compound is typically a solid at room temperature and may exhibit a crystalline appearance. It is known for its utility in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals, due to the reactivity of the nitrile and halogen groups. The presence of halogens can influence the compound's reactivity, solubility, and overall chemical behavior. Additionally, 2-chloro-5-iodobenzonitrile may have specific applications in cross-coupling reactions and other synthetic methodologies. Safety data should be consulted, as halogenated compounds can pose health risks and environmental concerns.
Formula:C7H3ClIN
InChI:InChI=1S/C7H3ClIN/c8-7-2-1-6(9)3-5(7)4-10/h1-3H
InChI key:InChIKey=RXNOBNYCCAEGJD-UHFFFAOYSA-N
SMILES:C(#N)C1=C(Cl)C=CC(I)=C1
Synonyms:
  • 3-Chloro-5-Iodo-Benzonitrile
  • Benzonitrile, 2-Chloro-5-Iodo-
  • 2-Chloro-5-iodobenzonitrile
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