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CS-W001157 4
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3-Oxo-2,3-dihydrobenzo[d]isothiazole-6-carboxylic acid 1,1-dioxide

  • CAS No. 90779-46-7

  • Cat. No. CS-0109975
  • Purity≥98%
  • MDL No.MFCD01106041

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

3-Oxo-2,3-dihydrobenzo[d]isothiazole-6-carboxylic acid 1,1-dioxide|CS-0109975

Structure of 90779-46-7

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General Information

  • CAS No. 90779-46-7
  • Cat. No. CS-0109975
  • Purity ≥98%
  • MDL No. MFCD01106041
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅NO₅S
  • Molecular Weight 227.19
  • Synonym(s) 6-Carboxy-1,2-benzisothiazol-3-one 1,1-Dioxide
  • SMILES O=C(C1=CC=C(C2=C1)C(NS2(=O)=O)=O)O

Synthesis

  • Route1

    References

    • Xu, Liang; Shu, Hong; Liu, Ying; Zhang, Suhong; Trudell, Mark L. Tetrahedron, 2006 , vol. 62, # 33 p. 7902 - 7910

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

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Computational Chemistry Data

  • TPSA   100.54
  • LogP   -0.1831
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   1

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