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4H-Benzo[4,5]imidazo[1,2-b]pyrazole-3-carbonitrile

  • CAS No. 64096-91-9

  • Cat. No. CS-0155890
  • Molecule weight182.18
  • Purity≥97%
  • MDL No.MFCD18820290

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

4H-Benzo[4,5]imidazo[1,2-b]pyrazole-3-carbonitrile|CS-0155890

Structure of 64096-91-9

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General Information

  • CAS No. 64096-91-9
  • Cat. No. CS-0155890
  • Purity ≥97%
  • MDL No. MFCD18820290
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₆N₄
  • Molecular Weight 182.18
  • Synonym(s) 4H-Pyrazolo[1,5-a]benzimidazole-3-carbonitrile(9CI)
  • SMILES C1=CC=C2C(=C1)NC3=C(C#N)C=NN23

Synthesis

  • Route1
    • 5-Amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile|CS-0122727
      64096-89-5
    • ~14%
    • 4H-Benzo[4,5]imidazo[1,2-b]pyrazole-3-carbonitrile|CS-0155890
      64096-91-9

    References

    • Khan, Misbahul A.; Ribeiro, Vera L. T. Monatshefte fuer Chemie, 1983 , vol. 114, p. 425 - 432

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-H332-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   56.88
  • LogP   1.68728
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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