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CAS 52107-70-7

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2-Iodo-3-methylbenzonitrile

Description:
2-Iodo-3-methylbenzonitrile is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with both an iodine atom and a nitrile group. The presence of the iodine atom at the 2-position and a methyl group at the 3-position of the benzene ring contributes to its unique chemical properties. This compound typically appears as a solid at room temperature and is known for its moderate solubility in organic solvents. The nitrile functional group (-C≡N) imparts significant reactivity, making it useful in various chemical syntheses, including nucleophilic substitutions and coupling reactions. Additionally, the iodine substituent can facilitate further functionalization through reactions such as palladium-catalyzed cross-coupling. 2-Iodo-3-methylbenzonitrile is often utilized in the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals, owing to its versatile reactivity and the ability to serve as a building block in organic synthesis. Safety precautions should be observed when handling this compound, as it may pose health hazards typical of halogenated organic compounds.
Formula:C8H6IN
InChI:InChI=1S/C8H6IN/c1-6-3-2-4-7(5-10)8(6)9/h2-4H,1H3
InChI key:InChIKey=VYCRRPBJJWSSTA-UHFFFAOYSA-N
SMILES:C(#N)C1=C(I)C(C)=CC=C1
Synonyms:
  • Benzonitrile, 2-iodo-3-methyl-
  • 2-Iodo-3-methylbenzonitrile
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