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CS-W001157 4
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5-Amino-1-(3,4-dichlorophenyl)-1H-pyrazole-4-carbonitrile

  • CAS No. 58791-78-9

  • Cat. No. CS-0122732
  • Molecule weight253.09
  • Purity≥98%
  • MDL No.MFCD00128311

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

5-Amino-1-(3,4-dichlorophenyl)-1H-pyrazole-4-carbonitrile|CS-0122732

Structure of 58791-78-9

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General Information

  • CAS No. 58791-78-9
  • Cat. No. CS-0122732
  • Purity ≥98%
  • MDL No. MFCD00128311
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₆Cl₂N₄
  • Molecular Weight 253.09
  • Synonym(s) 5-Amino-4-cyano-1-(3,4-dichlorophenyl)-1H-pyrazole
  • SMILES N#CC1=C(N)N(C2=CC=C(Cl)C(Cl)=C2)N=C1

Synthesis

  • Route1

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 21, # 24 p. 7451 - 7454
  • Route2
    • 2-(Ethoxymethylene)propanedinitrile|CS-0653697
      123-06-8
    • (3,4-Dichlorophenyl)hydrazine|CS-0699577
      13124-18-0
    • ~%
    • 5-Amino-1-(3,4-dichlorophenyl)-1H-pyrazole-4-carbonitrile|CS-0122732
      58791-78-9

    References

    • Chemical Biology and Drug Design, , vol. 83, # 3 p. 272 - 277

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

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