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5-Fluoro-2,3-dihydro-1,2-benzothiazole-1,1-dione

  • CAS No. 845644-47-5

  • Cat. No. CS-0238757
  • Purity95+%
  • MDL No.None

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

5-Fluoro-2,3-dihydro-1,2-benzothiazole-1,1-dione|CS-0238757

Structure of 845644-47-5

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General Information

  • CAS No. 845644-47-5
  • Cat. No. CS-0238757
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆FNO₂S
  • Molecular Weight 187.19
  • Synonym(s) 5-Fluoro-2,3-dihydrobenzo-[d]isothiazole 1,1-dioxide
  • SMILES C1=C(C=C2CNS(=O)(=O)C2=C1)F

Synthesis

  • Route1

    References

    • ATHERSYS, INC. Patent: WO2006/34419 A2, 2006 ; Location in patent: Page/Page column 64-65 ; WO 2006/034419 A2
  • Route2
    • 5-Fluorobenzo[d]isothiazol-3(2H)-one 1,1-dioxide|CS-0311805
      29083-18-9
    • ~33%
    • 5-Fluoro-2,3-dihydro-1,2-benzothiazole-1,1-dione|CS-0238757
      845644-47-5

    References

    • Pal, Manojit; Veeramaneni, Venugopal Rao; Kumar, Sanjeev; Lohray, Vidya B.; Yeleswarapu, Koteswar Rao Journal of the Indian Chemical Society, 2003 , vol. 80, # 12 p. 1095 - 1101
  • Route3
    • null|null
      352-70-5
    • ~%
    • 5-Fluoro-2,3-dihydro-1,2-benzothiazole-1,1-dione|CS-0238757
      845644-47-5

    References

    • Pal, Manojit; Veeramaneni, Venugopal Rao; Kumar, Sanjeev; Lohray, Vidya B.; Yeleswarapu, Koteswar Rao Journal of the Indian Chemical Society, 2003 , vol. 80, # 12 p. 1095 - 1101

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   46.17
  • LogP   0.6176
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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