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CS-W001157 4
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5-Chloro-1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

  • CAS No. 1152972-16-1

  • Cat. No. CS-0325191
  • Purity≥95%
  • MDL No.None

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

5-Chloro-1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid|CS-0325191

Structure of 1152972-16-1

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General Information

  • CAS No. 1152972-16-1
  • Cat. No. CS-0325191
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₆ClF₃N₂O₂
  • Molecular Weight 290.63
  • Synonym(s) 5-Chloro-1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic ac id
  • SMILES O=C(C1=C(Cl)N(C2=CC=CC=C2)N=C1C(F)(F)F)O

Synthesis

  • Route1
    • 5-Chloro-1-phenyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde|CS-0060549
      318288-78-7
    • ~%
    • 5-Chloro-1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid|CS-0325191
      1152972-16-1

    References

    • Wu, Lintao; Song, Baoan; Bhadury, Pinaki S.; Yang, Song; Hu, Deyu; Jin, Linhong Journal of Heterocyclic Chemistry, 2011 , vol. 48, # 2 p. 389 - 396
  • Route2

    References

    • Wu, Lintao; Song, Baoan; Bhadury, Pinaki S.; Yang, Song; Hu, Deyu; Jin, Linhong Journal of Heterocyclic Chemistry, 2011 , vol. 48, # 2 p. 389 - 396

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   55.12
  • LogP   3.2427
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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