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CS-W001157 4
Total: USD 88.00

3-(Chlorosulfonyl)benzoic acid

  • CAS No. 4025-64-3

  • Cat. No. CS-W014244
  • Purity≥95%
  • MDL No.MFCD00024877

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

3-(Chlorosulfonyl)benzoic acid|CS-W014244

Structure of 4025-64-3

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General Information

  • CAS No. 4025-64-3
  • Cat. No. CS-W014244
  • Purity ≥95%
  • MDL No. MFCD00024877
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅ClO₄S
  • Molecular Weight 220.62
  • Synonym(s) 3-Chlorosulfonyl benzoic acid
  • SMILES C1=C(C=C(C=C1)[S](=O)(=O)Cl)C(O)=O

Description

3-(Chlorosulfonyl)benzoic acid features a chlorosulfonyl group ortho to a carboxylic acid, enabling direct coupling reactions without prior activation. This bifunctional architecture supports the synthesis of sulfonamide derivatives and functionalized aromatic scaffolds under mild conditions. The molecule exhibits high reactivity and stability in standard organic solvents, facilitating integration into multi-step syntheses.

Synthesis

  • Route1

    References

    • Thurber, T. Craig; Prince, Anthony; Halpern, Otto Journal of Heterocyclic Chemistry, 1982 , vol. 19, p. 961 - 965
  • Route2
    • null|null
      7790-94-5
    • In-stock
      Benzoic acid|CS-0008257
      65-85-0
    • ~87%
    • In-stock
      3-(Chlorosulfonyl)benzoic acid|CS-W014244
      4025-64-3

    References

    • Khanfar, Mohammad A.; Quinti, Luisa; Wang, Hua; Choi, Soo Hyuk; Kazantsev, Aleksey G.; Silverman, Richard B. European Journal of Medicinal Chemistry, 2014 , vol. 76, p. 414 - 426
  • Route3
    • null|null
      98-88-4
    • ~%
    • In-stock
      3-(Chlorosulfonyl)benzoic acid|CS-W014244
      4025-64-3

    References

    • Gen.Aniline and Film Corp. Patent: US2273974 , 1939 ;

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

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Computational Chemistry Data

  • TPSA   71.44
  • LogP   1.3123
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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