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CS-W001157 4
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1-Bromo-3-(methylsulfonyl)benzene

  • CAS No. 34896-80-5

  • Cat. No. CS-0044122
  • Purity≥98%
  • MDL No.MFCD03095326

*For research and further manufacturing use only, not for direct human use.

1-Bromo-3-(methylsulfonyl)benzene|CS-0044122

Structure of 34896-80-5

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General Information

  • CAS No. 34896-80-5
  • Cat. No. CS-0044122
  • Purity ≥98%
  • MDL No. MFCD03095326
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇BrO₂S
  • Molecular Weight 235.10
  • Synonym(s) 3-Bromophenyl methyl sulfone
  • SMILES CS(C1=CC=CC(Br)=C1)(=O)=O

Description

1-Bromo-3-(methylsulfonyl)benzene features a bromine atom flanked by a methylsulfonyl group, enabling selective cross-coupling reactions. This electron-deficient aryl halide exhibits enhanced stability and solubility in polar solvents, facilitating efficient Pd-catalyzed transformations. The sulfone moiety improves functional group tolerance and streamlines purification workflows in synthetic sequences.

Application

1-Bromo-3-(methylsulfonyl)benzene serves as a versatile aryl halide building block for palladium-catalyzed cross-coupling reactions, including Suzuki, Stille, and Negishi couplings. The methylsulfonyl group enhances solubility and provides orthogonal reactivity in multi-step syntheses. Its bench-stable nature and compatibility with diverse functional groups make it well-suited for constructing complex pharmaceutical intermediates and heterocyclic scaffolds.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   1.8526
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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