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CS-W001157 4
Total: USD 88.00

1-(4-Chlorophenyl)-5-(trifluoromethyl)-1h-pyrazole-4-carboxylic acid

  • CAS No. 98534-80-6

  • Cat. No. CS-0241581
  • Purity≥97%
  • MDL No.None

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

1-(4-Chlorophenyl)-5-(trifluoromethyl)-1h-pyrazole-4-carboxylic acid|CS-0241581

Structure of 98534-80-6

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General Information

  • CAS No. 98534-80-6
  • Cat. No. CS-0241581
  • Purity ≥97%
  • 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) 2-(4-CHLOROPHENYL)-3-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXYLIC ACID
  • SMILES C1=C(C=CC(=C1)N2C(=C(C=N2)C(=O)O)C(F)(F)F)Cl

Synthesis

  • Route1

    References

    • US2004/220170 A1, ; Page 13-14 ; US 20040220170 A1
  • Route2
    • Ethyl 1-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate|CS-0313744
      112055-36-4
    • ~67%
    • 1-(4-Chlorophenyl)-5-(trifluoromethyl)-1h-pyrazole-4-carboxylic acid|CS-0241581
      98534-80-6

    References

    • Beck, James R.; Wright, Fred L. Journal of Heterocyclic Chemistry, 1987 , vol. 24, p. 739 - 740
  • Route3

    References

    • Journal of Heterocyclic Chemistry, , vol. 24, p. 739 - 740

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

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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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