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4-(Methylsulfonyl)benzenesulfonyl chloride

  • CAS No. 82964-91-8

  • Cat. No. CS-0103672
  • Purity≥97%
  • MDL No.MFCD00216486

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

4-(Methylsulfonyl)benzenesulfonyl chloride|CS-0103672

Structure of 82964-91-8

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General Information

  • CAS No. 82964-91-8
  • Cat. No. CS-0103672
  • Purity ≥97%
  • MDL No. MFCD00216486
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇ClO₄S₂
  • Molecular Weight 254.71
  • Synonym(s) Benzenesulfonyl chloride, 4-(methylsulfonyl)-
  • SMILES O=S(C1=CC=C(S(=O)(C)=O)C=C1)(Cl)=O

Description

4-(Methylsulfonyl)benzenesulfonyl chloride features a dual sulfonamide architecture with a methylsulfonyl group enhancing solubility and stability. This bench-stable reagent enables direct sulfonation of nucleophiles under mild conditions, streamlining the synthesis of sulfonamide-based pharmaceutical intermediates.

Application

4-(Methylsulfonyl)benzenesulfonyl chloride serves as a versatile sulfonylating agent for the efficient introduction of sulfonate groups into aromatic and heteroaromatic systems. Its stability under ambient conditions and compatibility with diverse functional groups enable reliable synthesis of sulfonamide intermediates and sulfonated building blocks used in medicinal chemistry and materials science.

Synthesis

  • Route1

    References

    • Horner, Leopold; Schmitt, Rolf-Erhard Phosphorus and Sulfur and the Related Elements, 1982 , vol. 13, p. 189 - 212
  • Route2

    References

    • European Journal of Medicinal Chemistry, , vol. 36, # 10 p. 809 - 828
  • Route3
    • N-[4-(Methylsulfonyl)phenyl]acetamide|CS-0236218
      22821-80-3
    • ~%
    • In-stock
      4-(Methylsulfonyl)benzenesulfonyl chloride|CS-0103672
      82964-91-8

    References

    • European Journal of Medicinal Chemistry, , vol. 36, # 10 p. 809 - 828

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅱ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   68.28
  • LogP   1.0176
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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