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Dipyrazino[2,3-f:2',3'-h]quinoxaline-2,3,6,7,10,11-hexacarbonitrile

  • CAS No. 105598-27-4

  • Cat. No. CS-0080070
  • Purity≥95%
  • MDL No.MFCD19689401

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

Dipyrazino[2,3-f:2',3'-h]quinoxaline-2,3,6,7,10,11-hexacarbonitrile|CS-0080070

Structure of 105598-27-4

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General Information

  • CAS No. 105598-27-4
  • Cat. No. CS-0080070
  • Purity ≥95%
  • MDL No. MFCD19689401
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₈N₁₂
  • Molecular Weight 384.27
  • Synonym(s) 1,4,5,8,9,11-Hexaazatriphenylenehexacarbonitrile
  • SMILES N#CC1=NC2=C3C(N=C(C#N)C(C#N)=N3)=C4C(N=C(C#N)C(C#N)=N4)=C2N=C1C#N

Application

Dipyrazino[2,3-f:2',3'-h]quinoxaline-2,3,6,7,10,11-hexacarbonitrile serves as a rigid, polycyclic aromatic scaffold with six nitrile groups positioned for strategic functionalization. Its high symmetry and electron-deficient core facilitate applications in conjugated materials and metal coordination chemistry. The molecule exhibits excellent bench stability and enables modular derivatization via nitrile transformations, supporting its use in synthesizing advanced heterocyclic systems and functionalized macrocycles.

Synthesis

  • Route1

    References

    • Kanakarajan, K.; Czarnik, Anthony W. Journal of Organic Chemistry, 1986 , vol. 51, # 26 p. 5241 - 5243

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
Precautionary Statements : P264-P270-P330-P501

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Computational Chemistry Data

  • TPSA   220.08
  • LogP   0.74628
  • H_Acceptors   12
  • H_Donors   0
  • Rotatable_Bonds   0

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