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CS-W001157 4
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5-Chloro-4-nitrobenzo[c][1,2,5]selenadiazole

  • CAS No. 20718-46-1

  • Cat. No. CS-0560180
  • Purity≥98%
  • MDL No.None

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

5-Chloro-4-nitrobenzo[c][1,2,5]selenadiazole|CS-0560180

Structure of 20718-46-1

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General Information

  • CAS No. 20718-46-1
  • Cat. No. CS-0560180
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₂ClN₃O₂Se
  • Molecular Weight 262.51
  • Synonym(s) 5-Chloro-4-nitro-2,1,3-benzoselenadiazole
  • SMILES C1=CC2=N[Se]N=C2C(=C1Cl)[N+](=O)[O-]

Synthesis

  • Route1
    • 5-Chloro-2,1,3-benzoselenadiazole|CS-0367121
      1123-92-8
    • ~97%
    • 5-Chloro-4-nitrobenzo[c][1,2,5]selenadiazole|CS-0560180
      20718-46-1

    References

    • NOVARTIS AG; NOVARTIS PHARMA GMBH Patent: WO2007/6533 A2, 2007 ; Location in patent: Page/Page column 42-43 ;
  • Route2

    References

    • Keana; Kher; Sui Xiong Cai; Dinsmore; Glenn; Guastella; Huang; Ilyin; Lu; Mouser; Woodward; Weber Journal of Medicinal Chemistry, 1995 , vol. 38, # 22 p. 4367 - 4379
  • Route3
    • 5-Chloro-2,1,3-benzoselenadiazole|CS-0367121
      1123-92-8
    • ~65%
    • 5-Chloro-4-nitrobenzo[c][1,2,5]selenadiazole|CS-0560180
      20718-46-1
    • null|null
      147021-82-7

    References

    • Tian, Wei; Grivas, Spiros; Olsson, Kjell Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1993 , # 2 p. 257 - 262

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   68.92
  • LogP   1.2484
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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