CAS 100959-90-8

2-Iodo-1-methyl-4-(methylsulfonyl)benzene

Description:

2-Iodo-1-methyl-4-(methylsulfonyl)benzene, with the CAS number 100959-90-8, is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with an iodine atom, a methyl group, and a methylsulfonyl group. The presence of the iodine atom introduces notable reactivity, making it a potential candidate for nucleophilic substitution reactions. The methylsulfonyl group contributes to the compound's polarity and can influence its solubility in various solvents. This compound is typically a solid at room temperature and may exhibit moderate stability under standard conditions. Its functional groups suggest potential applications in organic synthesis, particularly in the development of pharmaceuticals or agrochemicals. Additionally, the compound's unique structure may impart specific biological activities, warranting further investigation in medicinal chemistry. Safety data should be consulted for handling, as halogenated compounds can pose health risks. Overall, 2-Iodo-1-methyl-4-(methylsulfonyl)benzene is a versatile compound with significant implications in chemical research and application.

Formula: C₈H₉IO₂S

InChI: InChI=1S/C8H9IO2S/c1-6-3-4-7(5-8(6)9)12(2,10)11/h3-5H,1-2H3

InChI key: InChIKey=JGYBXAURCQXJAC-UHFFFAOYSA-N

SMILES: S(C)(=O)(=O)C1=CC(I)=C(C)C=C1

Synonyms:

• Benzene, 2-iodo-1-methyl-4-(methylsulfonyl)-
• Sulfone, 3-iodo-p-tolyl methyl
• 2-Iodo-1-methyl-4-(methylsulfonyl)benzene
• 2-Iodo-4-methanesulfonyl-1-methylbenzene