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CS-W001157 4
Total: USD 88.00

2H-1,2,4-triazole-3-carbonitrile

  • CAS No. 3641-10-9

  • Cat. No. CS-W019044
  • Purity≥97%
  • MDL No.MFCD03428509

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

2H-1,2,4-triazole-3-carbonitrile|CS-W019044

Structure of 3641-10-9

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General Information

  • CAS No. 3641-10-9
  • Cat. No. CS-W019044
  • Purity ≥97%
  • MDL No. MFCD03428509
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃H₂N₄
  • Molecular Weight 94.08
  • Synonym(s) 3-Cyano-1,2,4-Triazole
  • SMILES C1=N[NH]C(=N1)C#N

Description

2H-1,2,4-Triazole-3-carbonitrile serves as a versatile heterocyclic scaffold in medicinal chemistry and materials science. This bench-stable compound features a conjugated nitrile group flanked by nitrogen-rich triazole rings, enabling strong coordination to metals and enhanced solubility in polar solvents. Its electron-deficient core facilitates efficient coupling reactions and integration into functional molecular architectures.

Synthesis

  • Route1
    • null|null
      54606-55-2
    • null|null
      122-51-0
    • ~61%
    • In-stock
      2H-1,2,4-triazole-3-carbonitrile|CS-W019044
      3641-10-9

    References

    • Ampac Fine Chemicals LLC Patent: US2009/292122 A1, 2009 ; Location in patent: Page/Page column 11 ;
  • Route2
    • 2H-1,2,4-Triazole-3-carboxamide Ribavirin Impurity|CS-0229796
      3641-08-5
    • ~91%
    • In-stock
      2H-1,2,4-triazole-3-carbonitrile|CS-W019044
      3641-10-9

    References

    • Ampac Fine Chemicals LLC Patent: US2009/292122 A1, 2009 ; Location in patent: Page/Page column 12 ;
  • Route3
    • In-stock
      3-Chloro-1,2,4-triazole|CS-W011303
      6818-99-1
    • null|null
      773837-37-9
    • ~11%
    • In-stock
      2H-1,2,4-triazole-3-carbonitrile|CS-W019044
      3641-10-9

    References

    • Ampac Fine Chemicals LLC Patent: US2009/292122 A1, 2009 ; Location in patent: Page/Page column 11 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P311-P312-P330-P361-P363-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   65.36
  • LogP   -0.32362
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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