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5-Oxo-1-phenyl-2,5-dihydro-1h-pyrazole-3-carboxylic acid

  • CAS No. 49597-17-3

  • Cat. No. CS-0215376
  • Molecule weight204.18
  • Purity95+%
  • MDL No.MFCD02929824

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

5-Oxo-1-phenyl-2,5-dihydro-1h-pyrazole-3-carboxylic acid|CS-0215376

Structure of 49597-17-3

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General Information

  • CAS No. 49597-17-3
  • Cat. No. CS-0215376
  • Purity 95+%
  • MDL No. MFCD02929824
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈N₂O₃
  • Molecular Weight 204.18
  • Synonym(s) 5-oxo-1-phenyl-2H-pyrazole-3-carboxylic Acid
  • SMILES C1=CC=C(C=C1)N2C(=O)C=C(C(=O)O)N2

Synthesis

  • Route1
    • null|null
      60568-01-6
    • ~94%
    • In-stock
      5-Oxo-1-phenyl-2,5-dihydro-1h-pyrazole-3-carboxylic acid|CS-0215376
      49597-17-3

    References

    • Imperial Chemical Industries Limited Patent: US4081597 A1, 1978 ;
  • Route2

    References

    • Chauhan, R. P. S.; Dwivedi, R. K.; Singh, A. L.; Shukla, I. C. Journal of the Indian Chemical Society, 1981 , vol. 58, p. 719 - 720
  • Route3
    • null|null
      100-63-0
    • ~%
    • In-stock
      5-Oxo-1-phenyl-2,5-dihydro-1h-pyrazole-3-carboxylic acid|CS-0215376
      49597-17-3

    References

    • Buchner Chemische Berichte, 1889 , vol. 22, p. 2931

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   75.09
  • LogP   0.8638
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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