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2,5-Diaminobenzonitrile

  • CAS No. 14346-13-5

  • Cat. No. CS-0157761
  • Purity≥98%
  • MDL No.MFCD00077966

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

2,5-Diaminobenzonitrile|CS-0157761

Structure of 14346-13-5

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General Information

  • CAS No. 14346-13-5
  • Cat. No. CS-0157761
  • Purity ≥98%
  • MDL No. MFCD00077966
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇N₃
  • Molecular Weight 133.15
  • Synonym(s) 2-Cyano-1,4-phenylenediamine
  • SMILES C1=C(C=C(C#N)C(=C1)N)N

Description

2,5-Diaminobenzonitrile features two amine groups flanking a nitrile moiety on a benzene ring, enabling versatile coupling reactions in medicinal chemistry. This electron-rich scaffold integrates readily into heterocyclic systems and serves as a key building block for kinase inhibitors and fluorescent probes.

Application

2,5-Diaminobenzonitrile serves as a versatile building block in medicinal chemistry and materials science, enabling the synthesis of heterocyclic scaffolds via cyclization reactions. Its dual amine functionality and nitrile group provide orthogonal reactivity for sequential functionalization, facilitating the construction of complex molecular architectures. The compound exhibits good bench stability and is readily purified by recrystallization, making it well-suited for scalable synthetic workflows.

Synthesis

  • Route1

    References

    • US5707989 A1, ;

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   75.83
  • LogP   0.72268
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   0

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