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CS-W001157 4
Total: USD 88.00

5-Amino-1-(2,4-dichlorophenyl)-1H-pyrazole-4-carbonitrile

  • CAS No. 58791-79-0

  • Cat. No. CS-0122735
  • Purity≥98%
  • MDL No.MFCD00067795

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

5-Amino-1-(2,4-dichlorophenyl)-1H-pyrazole-4-carbonitrile|CS-0122735

Structure of 58791-79-0

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General Information

  • CAS No. 58791-79-0
  • Cat. No. CS-0122735
  • Purity ≥98%
  • MDL No. MFCD00067795
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₆Cl₂N₄
  • Molecular Weight 253.09
  • Synonym(s) 1H-pyrazole-4-carbonitrile, 5-amino-1-(2,4-dichlorophenyl)-
  • SMILES N#CC1=C(N)N(C2=CC=C(Cl)C=C2Cl)N=C1

Synthesis

  • Route1
    • 2-(Ethoxymethylene)propanedinitrile|CS-0653697
      123-06-8
    • (2,4-Dichlorophenyl)hydrazine|CS-0444558
      13123-92-7
    • ~62%
    • 5-Amino-1-(2,4-dichlorophenyl)-1H-pyrazole-4-carbonitrile|CS-0122735
      58791-79-0

    References

    • Harden; Quinn; Scammells Journal of Medicinal Chemistry, 1991 , vol. 34, # 9 p. 2892 - 2898 Title/Abstract Full Text View citing articles Show Details Dooley, Michael J.; Quinn, Ronald J.; Scammells, Peter J. Australian Journal of Chemistry, 1989 , vol. 42, # 5 p. 747 - 750
  • Route2
    • null|null
      122-51-0
    • (2,4-Dichlorophenyl)hydrazine|CS-0444558
      13123-92-7
    • null|null
      109-77-3
    • ~52%
    • 5-Amino-1-(2,4-dichlorophenyl)-1H-pyrazole-4-carbonitrile|CS-0122735
      58791-79-0

    References

    • Dooley, Michael J.; Quinn, Ronald J.; Scammells, Peter J. Australian Journal of Chemistry, 1989 , vol. 42, # 5 p. 747 - 750
  • Route3

    References

    • Dos Santos, Mauricio S.; Bernardino, Alice M. R.; Pinheiro, Luiz C. S.; Canto-Cavalheiro, Marilene M.; Leon, Leonor L. Journal of Heterocyclic Chemistry, 2012 , vol. 49, # 6 p. 1425 - 1428

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   67.63
  • LogP   2.63298
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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