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CS-W001157 4
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1-Ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

  • CAS No. 57712-57-9

  • Cat. No. CS-0139453
  • Molecule weight165.15
  • Purity≥95%
  • MDL No.None

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

1-Ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile|CS-0139453

Structure of 57712-57-9

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General Information

  • CAS No. 57712-57-9
  • Cat. No. CS-0139453
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇N₃O₂
  • Molecular Weight 165.15
  • Synonym(s) None
  • SMILES O=C1N(CC)C=C(C#N)C(N1)=O

Synthesis

  • Route1
    • null|null
      75-04-7
    • Ethyl (2-cyano-3-ethoxyacryloyl)carbamate|CS-0456903
      1187-34-4
    • ~%
    • 1-Ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile|CS-0139453
      57712-57-9

    References

    • Atkinson et al. Journal of the Chemical Society, 1956 , p. 4118,4120

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-H312-H315-H319-H332-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   78.65
  • LogP   -0.57182
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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