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CS-W001157 4
Total: USD 88.00

4-Bromo-3-chlorosulfonyl-benzoic acid

  • CAS No. 50803-23-1

  • Cat. No. CS-0213035
  • Purity≥97%
  • MDL No.MFCD00625719

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

4-Bromo-3-chlorosulfonyl-benzoic acid|CS-0213035

Structure of 50803-23-1

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General Information

  • CAS No. 50803-23-1
  • Cat. No. CS-0213035
  • Purity ≥97%
  • MDL No. MFCD00625719
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄BrClO₄S
  • Molecular Weight 299.53
  • Synonym(s) 4-Brom-3-chlorsulfonyl-benzoesaeure
  • SMILES C1=CC(=C(C=C1C(=O)O)S(=O)(=O)Cl)Br

Synthesis

  • Route1

    References

    • ADOLOR CORPORATION Patent: WO2007/58960 A1, 2007 ; Location in patent: Page/Page column 80 ; WO 2007/058960 A1
  • Route2
    • null|null
      586-75-4
    • ~70%
    • In-stock
      4-Bromo-3-chlorosulfonyl-benzoic acid|CS-0213035
      50803-23-1

    References

    • Nie, Zhe; Perretta, Carin; Lu, Jia; Su, Ying; Margosiak, Stephen; Gajiwala, Ketan S.; Cortez, Joseph; Nikulin, Victor; Yager, Kraig M.; Appelt, Krzysztof; Chu, Shaosong Journal of Medicinal Chemistry, 2005 , vol. 48, # 5 p. 1596 - 1609

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   71.44
  • LogP   2.0748
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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