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CS-W001157 4
Total: USD 88.00

5-Amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-1H-pyrazole-3-carbonitrile

  • CAS No. 120068-79-3

  • Cat. No. CS-W002535
  • Purity≥98%
  • MDL No.MFCD00227537

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

5-Amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-1H-pyrazole-3-carbonitrile|CS-W002535

Structure of 120068-79-3

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General Information

  • CAS No. 120068-79-3
  • Cat. No. CS-W002535
  • Purity ≥98%
  • MDL No. MFCD00227537
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₅Cl₂F₃N₄
  • Molecular Weight 321.09
  • Synonym(s) 5-Amino-3-Cyano-l-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole
  • SMILES ClC1=C(N2C(N)=CC(C#N)=N2)C(Cl)=CC(C(F)(F)F)=C1

Synthesis

  • Route1
    • null|null
      213132-03-7
    • ~99%
    • In-stock
      5-Amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-1H-pyrazole-3-carbonitrile|CS-W002535
      120068-79-3

    References

    • Aventis Agriculture Ltd. Patent: US6392081 B1, 2002 ; Location in patent: Page column 9 ;
  • Route2

    References

    • Zhao, Qiqi; Li, Yongqiang; Xiong, Lixia; Wang, Qingmin Journal of Agricultural and Food Chemistry, 2010 , vol. 58, # 8 p. 4992 - 4998
  • Route3
    • null|null
      26459-70-1
    • 2,6-Dichloro-4-(trifluoromethyl)phenylhydrazine|CS-0204620
      86398-94-9
    • ~72%
    • In-stock
      5-Amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-1H-pyrazole-3-carbonitrile|CS-W002535
      120068-79-3

    References

    • BASF SE; DOCHNAHL, Maximilian; SUKOPP, Martin; KORTE, Alexander Patent: WO2010/105969 A1, 2010 ; Location in patent: Page/Page column 11-12 ;

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-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   3.65178
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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