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1-Methyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid

  • CAS No. 100047-66-3

  • Cat. No. CS-0052433
  • Molecule weight154.12
  • Purity≥97%
  • MDL No.None

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

1-Methyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid|CS-0052433

Structure of 100047-66-3

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General Information

  • CAS No. 100047-66-3
  • Cat. No. CS-0052433
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₆N₂O₃
  • Molecular Weight 154.12
  • Synonym(s) 1-Methyl-6-oxo-1,6-dihydro-pyridazin-3-carbonsaeure
  • SMILES CN1N=C(C=CC1=O)C(O)=O

Synthesis

  • Route1
    • 1-Methyl-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid|CS-0139067
      33548-32-2
    • ~7%
    • 1-Methyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid|CS-0052433
      100047-66-3

    References

    • Journal of Molecular Structure, , vol. 998, # 1-3 p. 84 - 90
  • Route2

    References

    • Journal of Molecular Structure, , vol. 998, # 1-3 p. 84 - 90
  • Route3
    • Ethyl 1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxylate|CS-0972387
      867130-64-1
    • ~%
    • 1-Methyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid|CS-0052433
      100047-66-3

    References

    • Journal of the American Chemical Society, , vol. 74, p. 3222

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

Quality Control

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Computational Chemistry Data

  • TPSA   72.19
  • LogP   -0.5215
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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