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CS-W001157 4
Total: USD 88.00

5-Bromopyrimidine-2,4,6(1H,3H,5H)-trione

  • CAS No. 19645-78-4

  • Cat. No. CS-0045748
  • Purity≥97%
  • MDL No.None

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

5-Bromopyrimidine-2,4,6(1H,3H,5H)-trione|CS-0045748

Structure of 19645-78-4

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General Information

  • CAS No. 19645-78-4
  • Cat. No. CS-0045748
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₃BrN₂O₃
  • Molecular Weight 206.98
  • Synonym(s) Pemetrexed Impurity 34
  • SMILES O=C1NC(C(Br)C(N1)=O)=O

Synthesis

  • Route1
    • null|null
      67-52-7
    • ~83%
    • 5-Bromopyrimidine-2,4,6(1H,3H,5H)-trione|CS-0045748
      19645-78-4

    References

    • Pathak, Sudipta; Kundu, Ashis; Pramanik, Animesh RSC Advances, 2014 , vol. 4, # 20 p. 10180 - 10187
  • Route2
    • 5,5-Dibromopyrimidine-2,4,6(1H,3H,5H)-trione|CS-0182886
      511-67-1
    • ~%
    • 5-Bromopyrimidine-2,4,6(1H,3H,5H)-trione|CS-0045748
      19645-78-4

    References

    • Baeyer Justus Liebigs Annalen der Chemie, 1864 , vol. 130, p. 158 Chemische Berichte, 1875 , vol. 8, p. 613
  • Route3

    References

    • Yu, Tain-Jen; Sutherland, Ronald G.; Verrall, Ronald E. Canadian Journal of Chemistry, 1980 , vol. 58, p. 1909 - 1915

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   75.27
  • LogP   -0.8841
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   0

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