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CS-W001157 4
Total: USD 88.00

4,5-Diaminophthalonitrile

  • CAS No. 129365-93-1

  • Cat. No. CS-W006730
  • Purity≥95%
  • MDL No.MFCD02376082

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

4,5-Diaminophthalonitrile|CS-W006730

Structure of 129365-93-1

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General Information

  • CAS No. 129365-93-1
  • Cat. No. CS-W006730
  • Purity ≥95%
  • MDL No. MFCD02376082
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆N₄
  • Molecular Weight 158.16
  • Synonym(s) 1,2-Diamino-4,5-dicyanobenzene
  • SMILES N#CC1=CC(N)=C(N)C=C1C#N

Description

4,5-Diaminophthalonitrile features two primary amine groups flanking a nitrile-substituted aromatic core, enabling direct incorporation into conjugated polymers and functional materials. This electron-rich scaffold supports efficient charge transport and facilitates modular derivatization under standard coupling conditions.

Application

4,5-Diaminophthalonitrile serves as a versatile building block in synthetic organic chemistry, enabling the construction of heterocyclic scaffolds through cyclization and condensation reactions. Its dual amine and nitrile functionalities provide orthogonal reactivity for diverse transformations, including amidation, imine formation, and metal-catalyzed coupling processes. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for applications in medicinal chemistry and materials science.

Synthesis

  • Route1
    • 4-Amino-5-nitrophthalonitrile|CS-0322429
      79319-38-3
    • ~95%
    • In-stock
      4,5-Diaminophthalonitrile|CS-W006730
      129365-93-1

    References

    • Kudrik; Shaposhnikov; Balakirev Russian Journal of General Chemistry, 1999 , vol. 69, # 8 p. 1321 - 1324
  • Route2
    • Benzo[c][1,2,5]thiadiazole-5,6-dicarbonitrile|CS-0737826
      54512-79-7
    • ~71%
    • In-stock
      4,5-Diaminophthalonitrile|CS-W006730
      129365-93-1

    References

    • Shao, Jinjun; Chang, Jingjing; Chi, Chunyan Chemistry - An Asian Journal, 2014 , vol. 9, # 1 p. 253 - 260
  • Route3
    • null|null
      544-92-3
    • In-stock
      4,5-Dibromobenzene-1,2-diamine|CS-W018726
      49764-63-8
    • ~24%
    • In-stock
      4,5-Diaminophthalonitrile|CS-W006730
      129365-93-1

    References

    • Mitzel; FitzGerald; Beeby; Faust Chemical Communications, 2001 , # 24 p. 2596 - 2597 Title/Abstract Full Text View citing articles Show Details Mitzel, Frieder; FitzGerald, Simon; Beeby, Andrew; Faust, Ruediger Chemistry - A European Journal, 2003 , vol. 9, # 5 p. 1233 - 1241

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H312+H332-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   99.62
  • LogP   0.59436
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   0

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