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CS-W001157 4
Total: USD 88.00

Pyrimidine-4,5-dicarboxylic acid

  • CAS No. 54001-63-7

  • Cat. No. CS-0566366
  • Purity≥98%
  • MDL No.None

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

Pyrimidine-4,5-dicarboxylic acid|CS-0566366

Structure of 54001-63-7

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General Information

  • CAS No. 54001-63-7
  • Cat. No. CS-0566366
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₄N₂O₄
  • Molecular Weight 168.11
  • Synonym(s) 4,5-Pyrimidinedicarboxylic acid
  • SMILES O=C(C1=C(C(O)=O)C=NC=N1)O

Synthesis

  • Route1
    • Diethyl pyrimidine-4,5-dicarboxylate|CS-0663985
      36978-53-7
    • ~90%
    • Pyrimidine-4,5-dicarboxylic acid|CS-0566366
      54001-63-7

    References

    • Krapcho; Maresch; Helgason; Rosner; Hacker; Spinelli; Menta; Oliva Journal of Heterocyclic Chemistry, 1993 , vol. 30, # 6 p. 1597 - 1606
  • Route2
    • null|null
      52942-64-0
    • ~%
    • Pyrimidine-4,5-dicarboxylic acid|CS-0566366
      54001-63-7

    References

    • Krapcho; Maresch; Helgason; Rosner; Hacker; Spinelli; Menta; Oliva Journal of Heterocyclic Chemistry, 1993 , vol. 30, # 6 p. 1597 - 1606
  • Route3

    References

    • Gabriel; Colman Chemische Berichte, 1904 , vol. 37, p. 3657

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   100.38
  • LogP   -0.127
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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