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CS-W001157 4
Total: USD 88.00

1,3,3a1,4,6,7,9-Heptaazaphenalene-2,5,8-triol

  • CAS No. 1502-46-1

  • Cat. No. CS-0170525
  • Purity≥98%
  • MDL No.None

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

1,3,3a1,4,6,7,9-Heptaazaphenalene-2,5,8-triol|CS-0170525

Structure of 1502-46-1

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General Information

  • CAS No. 1502-46-1
  • Cat. No. CS-0170525
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₃N₇O₃
  • Molecular Weight 221.13
  • Synonym(s) 1,3,4,6,7,9,9b-Heptaazaphenalene-2,5,8(1H,3H,6H)-trione
  • SMILES OC1=NC2=NC(O)=NC3=NC(O)=NC(N23)=N1

Synthesis

  • Route1
    • 2,2'-Iminobis[4,6-diamino-1,3,5-triazine]|CS-0745054
      3576-88-3
    • ~%
    • In-stock
      1,3,3a1,4,6,7,9-Heptaazaphenalene-2,5,8-triol|CS-0170525
      1502-46-1

    References

    • Volhard Journal fuer Praktische Chemie (Leipzig), 1874 , vol. <2>9, p. 29
  • Route2
    • null|null
      1593-03-9
    • ~%
    • 6-Amino-1,3,5-triazine-2,4-diol|CS-W011137
      645-93-2
    • null|null
      7664-41-7
    • In-stock
      1,3,3a1,4,6,7,9-Heptaazaphenalene-2,5,8-triol|CS-0170525
      1502-46-1

    References

    • Liebig Justus Liebigs Annalen der Chemie, 1855 , vol. 95, p. 269

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 3267
Class : 8
Packing Group : Ⅲ
Hazard Statements : H315-H318-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   141.27
  • LogP   -1.4933
  • H_Acceptors   10
  • H_Donors   3
  • Rotatable_Bonds   0

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