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CS-W001157 4
Total: USD 88.00

2,3-Dioxoindoline-5-sulfonyl chloride

  • CAS No. 132898-96-5

  • Cat. No. CS-0054756
  • Molecule weight245.64
  • Purity≥97%
  • MDL No.MFCD11974220

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

2,3-Dioxoindoline-5-sulfonyl chloride|CS-0054756

Structure of 132898-96-5

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General Information

  • CAS No. 132898-96-5
  • Cat. No. CS-0054756
  • Purity ≥97%
  • MDL No. MFCD11974220
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄ClNO₄S
  • Molecular Weight 245.64
  • Synonym(s) 5-Isatinsulfonyl Chloride
  • SMILES O=S(C1=CC2=C(NC(C2=O)=O)C=C1)(Cl)=O

Synthesis

  • Route1
    • Sodium 2,3-dioxoindoline-5-sulfonate|CS-0672331
      80789-74-8
    • ~85%
    • 2,3-Dioxoindoline-5-sulfonyl chloride|CS-0054756
      132898-96-5

    References

    • Washington University in St. Louis Patent: US2009/68105 A1, 2009 ; Location in patent: Page/Page column 9 ;
  • Route2
    • null|null
      126-33-0
    • null|null
      869277-74-7
    • ~60%
    • 2,3-Dioxoindoline-5-sulfonyl chloride|CS-0054756
      132898-96-5

    References

    • SmithKline Beecham Corporation Patent: US6514992 B1, 2003 ; US 6514992 B1
  • Route3
    • 2,3-Dioxoindoline-5-sulfonic acid|CS-0670955
      7313-70-4
    • ~65%
    • 2,3-Dioxoindoline-5-sulfonyl chloride|CS-0054756
      132898-96-5

    References

    • Lawrence, Harshani R.; Pireddu, Roberta; Chen, Liwei; Luo, Yunting; Sung, Shen-Shu; Szymanski, Ann Marie; Yip, M. L. Richard; Guida, Wayne C.; Sebti, Said M.; Wu, Jie; Lawrence, Nicholas J. Journal of Medicinal Chemistry, 2008 , vol. 51, # 16 p. 4948 - 4956

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅲ
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   80.31
  • LogP   0.7489
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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