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CS-W001157 4
Total: USD 88.00

7,11-Dinitro-3-oxatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione

  • CAS No. 3807-80-5

  • Cat. No. CS-0243829
  • Purity≥95%
  • MDL No.None

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

7,11-Dinitro-3-oxatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione|CS-0243829

Structure of 3807-80-5

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General Information

  • CAS No. 3807-80-5
  • Cat. No. CS-0243829
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₄N₂O₇
  • Molecular Weight 288.17
  • Synonym(s) 3,6-Dinitronaphthalic Anhydride
  • SMILES C1=C2C=C(C=C3C2=C(C=C1[N+](=O)[O-])C(=O)OC3=O)[N+](=O)[O-]

Synthesis

  • Route1
    • null|null
      81-84-5
    • ~73%
    • 7,11-Dinitro-3-oxatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione|CS-0243829
      3807-80-5

    References

    • Girouard, Stephane; Houle, Marie-Helene; Grandbois, Alain; Keillor, Jeffrey W.; Michnick, Stephen W. Journal of the American Chemical Society, 2005 , vol. 127, # 2 p. 559 - 566
  • Route2

    References

    • Brana; Castellano; Moran; Emling; Kluge; Schlick; Klebe; Walker Arzneimittel-Forschung/Drug Research, 1995 , vol. 45, # 12 p. 1311 - 1318
  • Route3
    • null|null
      53918-78-8
    • null|null
      7697-37-2
    • ~%
    • 7,11-Dinitro-3-oxatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione|CS-0243829
      3807-80-5

    References

    • Rule; Thompson Journal of the Chemical Society, 1937 , p. 1761

Safety Information

Download SDS
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

Quality Control

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Computational Chemistry Data

  • TPSA   129.65
  • LogP   1.9668
  • H_Acceptors   7
  • H_Donors   0
  • Rotatable_Bonds   2

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