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CS-W001157 4
Total: USD 88.00

4-(Chlorosulfonyl)benzoic acid

  • CAS No. 10130-89-9

  • Cat. No. CS-W019499
  • Purity≥95%
  • MDL No.MFCD00007448

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

4-(Chlorosulfonyl)benzoic acid|CS-W019499

Structure of 10130-89-9

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General Information

  • CAS No. 10130-89-9
  • Cat. No. CS-W019499
  • Purity ≥95%
  • MDL No. MFCD00007448
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅ClO₄S
  • Molecular Weight 220.63
  • Synonym(s) benzoic acid, 4-(chlorosulfonyl)-
  • SMILES OC(=O)C1=CC=C(C=C1)S(Cl)(=O)=O

Description

4-(Chlorosulfonyl)benzoic acid was used in the preparation of polymer bound transfer hydrogenation catalyst and 4-(carboxymethyl-sulfamoyl)-benzoyladenosine. It was also used as a reagent in the sulfonation of -cyclodextrin.

Application

4-(Chlorosulfonyl)benzoic acid serves as a versatile bifunctional building block, enabling direct installation of sulfonate and carboxylic acid groups in close proximity. Its chlorosulfonyl group reacts readily with amines and alcohols to form sulfonamide and sulfonic ester derivatives, while the carboxylic acid facilitates amide coupling or salt formation. The molecule exhibits good bench stability and is widely used in the synthesis of sulfonamide-containing pharmaceuticals and functionalized heterocycles.

Synthesis

  • Route1
    • null|null
      104-15-4
    • ~19%
    • In-stock
      4-(Chlorosulfonyl)benzoic acid|CS-W019499
      10130-89-9

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 22, # 2 p. 958 - 962
  • Route2
    • null|null
      98-59-9
    • ~54%
    • In-stock
      4-(Chlorosulfonyl)benzoic acid|CS-W019499
      10130-89-9

    References

    • WO2009/36016 A1, ; Page/Page column 85 ;
  • Route3
    • 4-Aminobenzoic acid Conivaptan Impurity|CS-0213989
      150-13-0
    • ~80%
    • In-stock
      4-(Chlorosulfonyl)benzoic acid|CS-W019499
      10130-89-9

    References

    • Organic Process Research and Development, , vol. 13, # 5 p. 875 - 879

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅱ
Hazard Statements : H314-H318
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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