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CS-W001157 4
Total: USD 88.00

1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

  • CAS No. 98534-81-7

  • Cat. No. CS-0059246
  • Purity≥98%
  • MDL No.None

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

1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid|CS-0059246

Structure of 98534-81-7

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General Information

  • CAS No. 98534-81-7
  • Cat. No. CS-0059246
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₇F₃N₂O₂
  • Molecular Weight 256.18
  • Synonym(s) 5-(TRIFLUOROMETHYL)-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
  • SMILES O=C(C1=C(C(F)(F)F)N(C2=CC=CC=C2)N=C1)O

Synthesis

  • Route1
    • Ethyl 1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate|CS-0308722
      112055-34-2
    • ~85%
    • In-stock
      1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid|CS-0059246
      98534-81-7

    References

    • L'OREAL Patent: US2006/34786 A1, 2006 ; Location in patent: Page/Page column 60 ; US 20060034786 A1
  • Route2
    • null|null
      124-38-9
    • 1-Phenyl-5-(trifluoromethyl)-1h-pyrazole|CS-0662894
      333363-79-4
    • ~60%
    • In-stock
      1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid|CS-0059246
      98534-81-7

    References

    • Schlosser, Manfred; Volle, Jean-Noel; Leroux, Frederic; Schenk, Kurt European Journal of Organic Chemistry, 2002 , # 17 p. 2913 - 2920
  • Route3
    • null|null
      142809-84-5
    • ~82%
    • In-stock
      1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid|CS-0059246
      98534-81-7

    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+H312-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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