CAS 1355247-79-8

1-Bromo-3-[(2-methylpropyl)sulfonyl]benzene

Description:

1-Bromo-3-[(2-methylpropyl)sulfonyl]benzene is an organic compound characterized by the presence of a bromine atom and a sulfonyl group attached to a benzene ring. The compound features a 2-methylpropyl group, which contributes to its hydrophobic characteristics. The bromine substituent typically enhances the compound's reactivity, making it useful in various chemical reactions, including nucleophilic substitutions. The sulfonyl group, known for its strong electron-withdrawing properties, can influence the compound's acidity and reactivity, particularly in electrophilic aromatic substitution reactions. This compound may exhibit moderate to high solubility in organic solvents, while its solubility in water is likely limited due to the hydrophobic nature of the aromatic ring and the branched alkyl group. Additionally, the presence of the sulfonyl group can impart unique properties, such as increased thermal stability and potential applications in pharmaceuticals or agrochemicals. Safety data should be consulted for handling and storage, as halogenated compounds can pose health and environmental risks.

Formula: C₁₀H₁₃BrO₂S

InChI: InChI=1S/C10H13BrO2S/c1-8(2)7-14(12,13)10-5-3-4-9(11)6-10/h3-6,8H,7H2,1-2H3

InChI key: InChIKey=ZGKNTBVTWSFYKF-UHFFFAOYSA-N

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

Synonyms:

• Benzene, 1-bromo-3-[(2-methylpropyl)sulfonyl]-
• 1-Bromo-3-[(2-methylpropyl)sulfonyl]benzene