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CS-W001157 4
Total: USD 88.00

5-Hydroxy-1-phenyl-1H-pyrazole-4-carboxylic acid

  • CAS No. 70453-98-4

  • Cat. No. CS-0209063
  • Molecule weight204.18
  • Purity≥97%
  • MDL No.MFCD19103536

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

5-Hydroxy-1-phenyl-1H-pyrazole-4-carboxylic acid|CS-0209063

Structure of 70453-98-4

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General Information

  • CAS No. 70453-98-4
  • Cat. No. CS-0209063
  • Purity ≥97%
  • MDL No. MFCD19103536
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈N₂O₃
  • Molecular Weight 204.18
  • Synonym(s) 5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-4-carboxylic acid
  • SMILES C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)O)O

Synthesis

  • Route1
    • Ethyl 3-oxo-2-phenyl-2,3-dihydro-1h-pyrazole-4-carboxylate|CS-0213152
      30588-33-1
    • ~%
    • 5-Hydroxy-1-phenyl-1H-pyrazole-4-carboxylic acid|CS-0209063
      70453-98-4

    References

    • Beecham Group p.l.c. Patent: US4537886 A1, 1985 ;

Safety Information

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Computational Chemistry Data

  • TPSA   75.35
  • LogP   1.2761
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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