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CS-W001157 4
Total: USD 88.00

5,6-Dinitro-1h-1,3-benzodiazole

  • CAS No. 50365-37-2

  • Cat. No. CS-0217449
  • Purity≥98%
  • MDL No.None

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

5,6-Dinitro-1h-1,3-benzodiazole|CS-0217449

Structure of 50365-37-2

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General Information

  • CAS No. 50365-37-2
  • Cat. No. CS-0217449
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄N₄O₄
  • Molecular Weight 208.13
  • Synonym(s) 5,6-Dinitro-1H-benzo[d]imidazole
  • SMILES C1=C(C(=CC2=C1NC=N2)[N+](=O)[O-])[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Xuanzhu Pharma Co., Ltd. Patent: EP2532665 A1, 2012 ; Location in patent: Page/Page column 32 ;
  • Route2

    References

    • Tapu, Daniela; McCarty, Zachary; Hutchinson, Lauren; Ghattas, Christopher; Chowdhury, Mahatab; Salerno, John; Vanderveer, Donald Journal of Organometallic Chemistry, 2014 , vol. 749, p. 134 - 141
  • Route3

    References

    • Efros Zhurnal Obshchei Khimii, 1952 , vol. 22, p. 1008,1014;engl.Ausg.S.1063,1067 Full Text Show Details Ficken; Fry Journal of the Chemical Society, 1963 , p. 736,738

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   114.96
  • LogP   1.3793
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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