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CS-W001157 4
Total: USD 88.00

4-(Difluoromethylsulfonyl)benzoic acid

  • CAS No. 4837-22-3

  • Cat. No. CS-0042301
  • Purity≥98%
  • MDL No.MFCD00766762

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

4-(Difluoromethylsulfonyl)benzoic acid|CS-0042301

Structure of 4837-22-3

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General Information

  • CAS No. 4837-22-3
  • Cat. No. CS-0042301
  • Purity ≥98%
  • MDL No. MFCD00766762
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆F₂O₄S
  • Molecular Weight 236.19
  • Synonym(s) 4-(Difluoro-methanesulfonyl)-benzoic acid
  • SMILES O=C(O)C1=CC=C(S(=O)(C(F)F)=O)C=C1

Description

4-(Difluoromethylsulfonyl)benzoic acid features a strongly electron-withdrawing difluoromethylsulfonyl group that enhances acidity and metabolic stability. This aryl sulfone moiety integrates readily into bioactive molecules, offering improved solubility and resistance to oxidative degradation. The carboxylic acid functionality enables direct coupling reactions for conjugation in medicinal chemistry and materials science applications.

Application

4-(Difluoromethylsulfonyl)benzoic acid serves as a versatile building block in medicinal chemistry, enabling the introduction of a strongly electron-withdrawing difluoromethylsulfonyl group adjacent to a carboxylic acid. The molecule exhibits excellent bench stability and facilitates direct coupling reactions, including amide formation and esterification, with high functional group tolerance. Its ortho-directed reactivity profile supports efficient derivatization in late-stage functionalization strategies.

Synthesis

  • Route1
    • (difluoromethyl)(P-tolyl)sulfane|CS-1188391
      3447-50-5
    • ~%
    • In-stock
      4-(Difluoromethylsulfonyl)benzoic acid|CS-0042301
      4837-22-3

    References

    • De Cat,A. et al. Bulletin des Societes Chimiques Belges, 1965 , vol. 74, p. 270 - 280
  • Route2
    • null|null
      106-45-6
    • ~%
    • In-stock
      4-(Difluoromethylsulfonyl)benzoic acid|CS-0042301
      4837-22-3

    References

    • De Cat,A. et al. Bulletin des Societes Chimiques Belges, 1965 , vol. 74, p. 270 - 280
  • Route3
    • 1-((Difluoromethyl)sulfonyl)-4-methylbenzene|CS-0571946
      4837-17-6
    • ~%
    • In-stock
      4-(Difluoromethylsulfonyl)benzoic acid|CS-0042301
      4837-22-3

    References

    • De Cat,A. et al. Bulletin des Societes Chimiques Belges, 1965 , vol. 74, p. 270 - 280

Safety Information

Download SDS
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

Quality Control

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Computational Chemistry Data

  • TPSA   71.44
  • LogP   1.3811
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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