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Ethyl 1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate

  • CAS No. 741717-63-5

  • Cat. No. CS-0151714
  • Molecule weight284.23
  • Purity≥97%
  • MDL No.MFCD10568308

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

Ethyl 1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate|CS-0151714

Structure of 741717-63-5

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General Information

  • CAS No. 741717-63-5
  • Cat. No. CS-0151714
  • Purity ≥97%
  • MDL No. MFCD10568308
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₁F₃N₂O₂
  • Molecular Weight 284.23
  • Synonym(s) 1-Phenyl-3-trifluoromethyl-1H-pyrazole-4-carboxylicacid ethyl ester
  • SMILES CCOC(=O)C1=CN(C2=CC=CC=C2)N=C1C(F)(F)F

Synthesis

  • Route1

    References

    • Bolin, David Robert; Cheung, Adrian Wai-Hing; Firooznia, Fariborz; Marcopulos, Nicholas; Qian, Yimin Patent: US2010/152445 A1, 2010 ; Location in patent: Page/Page column 8 ;
  • Route2

    References

    • Wu, Zhibing; Hu, Deyu; Kuang, Jiqing; Cai, Hua; Wu, Shixi; Xue, Wei Molecules, 2012 , vol. 17, # 12 p. 14205 - 14218
  • Route3
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    • Ethyl 1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate|CS-0151714
      741717-63-5

    References

    • Molecules, , vol. 17, # 12 p. 14205 - 14218

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   44.12
  • LogP   3.0678
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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