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CS-W001157 4
Total: USD 88.00

5-Amino-1-(3-chlorophenyl)-1H-pyrazole-4-carbonitrile

  • CAS No. 51516-68-8

  • Cat. No. CS-0122726
  • Molecule weight218.64
  • Purity≥98%
  • MDL No.MFCD00128298

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

5-Amino-1-(3-chlorophenyl)-1H-pyrazole-4-carbonitrile|CS-0122726

Structure of 51516-68-8

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General Information

  • CAS No. 51516-68-8
  • Cat. No. CS-0122726
  • Purity ≥98%
  • MDL No. MFCD00128298
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇ClN₄
  • Molecular Weight 218.64
  • Synonym(s) 5-Amino-1-(3-chlorophenyl)pyrazole-4-carbonitrile
  • SMILES N#CC1=C(N)N(C2=CC=CC(Cl)=C2)N=C1

Synthesis

  • Route1
    • (3-Chlorophenyl)hydrazine hydrochloride|CS-W017297
      2312-23-4
    • 2-(Ethoxymethylene)propanedinitrile|CS-0653697
      123-06-8
    • ~69%
    • In-stock
      5-Amino-1-(3-chlorophenyl)-1H-pyrazole-4-carbonitrile|CS-0122726
      51516-68-8

    References

    • DeveloGen Aktiengesellschaft; Evotec AG Patent: EP1746099 A1, 2007 ; Location in patent: Page/Page column 14 ;
  • Route2
    • 2-(Ethoxymethylene)propanedinitrile|CS-0653697
      123-06-8
    • (3-Chlorophenyl)hydrazine|CS-0699302
      14763-20-3
    • ~69%
    • In-stock
      5-Amino-1-(3-chlorophenyl)-1H-pyrazole-4-carbonitrile|CS-0122726
      51516-68-8

    References

    • Harden; Quinn; Scammells Journal of Medicinal Chemistry, 1991 , vol. 34, # 9 p. 2892 - 2898
  • Route3
    • null|null
      108-42-9
    • ~%
    • In-stock
      5-Amino-1-(3-chlorophenyl)-1H-pyrazole-4-carbonitrile|CS-0122726
      51516-68-8

    References

    • Harden; Quinn; Scammells Journal of Medicinal Chemistry, 1991 , vol. 34, # 9 p. 2892 - 2898

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H315-H318-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   67.63
  • LogP   1.97958
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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