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1-Phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

  • CAS No. 142818-01-7

  • Cat. No. CS-0060553
  • Purity≥97%
  • MDL No.None

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

1-Phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid|CS-0060553

Structure of 142818-01-7

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General Information

  • CAS No. 142818-01-7
  • Cat. No. CS-0060553
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₇F₃N₂O₂
  • Molecular Weight 256.18
  • Synonym(s) 3-(Trifluoromethyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
  • SMILES C1=CC=C(C=C1)N2C=C(C(=N2)C(F)(F)F)C(=O)O

Synthesis

  • Route1
    • Ethyl 1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate|CS-0151714
      741717-63-5
    • ~98%
    • 1-Phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid|CS-0060553
      142818-01-7

    References

    • Wu, Zhibing; Hu, Deyu; Kuang, Jiqing; Cai, Hua; Wu, Shixi; Xue, Wei Molecules, 2012 , vol. 17, # 12 p. 14205 - 14218
  • Route2

    References

    • EP1845081 A1, ; EP 1845081 A1
  • Route3
    • null|null
      142809-82-3
    • ~99%
    • 1-Phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid|CS-0060553
      142818-01-7

    References

    • Okada, Etsuji; Masuda, Ryoichi; Hojo, Masaru Heterocycles, 1992 , vol. 34, # 4 p. 791 - 798

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   55.12
  • LogP   2.5893
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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