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Ethyl 5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylate

  • CAS No. 58607-90-2

  • Cat. No. CS-0061631
  • Purity≥97%
  • MDL No.MFCD00020698

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

Ethyl 5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylate|CS-0061631

Structure of 58607-90-2

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General Information

  • CAS No. 58607-90-2
  • Cat. No. CS-0061631
  • Purity ≥97%
  • MDL No. MFCD00020698
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₈N₂O₃
  • Molecular Weight 156.14
  • Synonym(s) Ethyl 5-oxo-5H-pyrazole-3-carboxylate
  • SMILES CCOC(C1=NNC(C1)=O)=O

Synthesis

  • Route1

    References

    • Kosower, Edward M.; Faust, Dov; Ben-Shoshan, Marcia; Goldberg, Israel Journal of Organic Chemistry, 1982 , vol. 47, # 2 p. 214 - 221

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   67.76
  • LogP   -0.5746
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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