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CS-W001157 4
Total: USD 88.00

6-Nitrobenzo[d][1,2,3]thiadiazole

  • CAS No. 29241-16-5

  • Cat. No. CS-0571492
  • Purity≥98%
  • MDL No.MFCD18449414

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

6-Nitrobenzo[d][1,2,3]thiadiazole|CS-0571492

Structure of 29241-16-5

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General Information

  • CAS No. 29241-16-5
  • Cat. No. CS-0571492
  • Purity ≥98%
  • MDL No. MFCD18449414
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₃N₃O₂S
  • Molecular Weight 181.17
  • Synonym(s) 6-Nitro-1,2,3-benzothiadiazole
  • SMILES C1=CC2=C(C=C1[N+](=O)[O-])SN=N2

Synthesis

  • Route1
    • 2-Amino-5-nitrobenzenethiol|CS-0060330
      23451-98-1
    • ~%
    • 6-Nitrobenzo[d][1,2,3]thiadiazole|CS-0571492
      29241-16-5

    References

    • RADIUS HEALTH, INC.; MILLER, Chris, P. Patent: WO2012/47617 A1, 2012 ; Location in patent: Page/Page column 44 ; WO 2012/047617 A1
  • Route2
    • null|null
      58381-87-6
    • ~60%
    • 6-Nitrobenzo[d][1,2,3]thiadiazole|CS-0571492
      29241-16-5

    References

    • Liu, Feng; Li, Fengling; Ma, Anqi; Dobrovetsky, Elena; Dong, Aiping; Gao, Cen; Korboukh, Ilia; Liu, Jing; Smil, David; Brown, Peter J.; Frye, Stephen V.; Arrowsmith, Cheryl H.; Schapira, Matthieu; Vedadi, Masoud; Jin, Jian Journal of Medicinal Chemistry, 2013 , vol. 56, # 5 p. 2110 - 2124
  • Route3

    References

    • RADIUS HEALTH, INC.; MILLER, Chris, P. Patent: WO2012/47617 A1, 2012 ; WO 2012/047617 A1

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   68.92
  • LogP   1.5995
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   1

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