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CS-W001157 4
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3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile

  • CAS No. 88796-54-7

  • Cat. No. CS-0498513
  • Molecule weight138.08
  • Purity≥98%
  • MDL No.None

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

3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile|CS-0498513

Structure of 88796-54-7

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General Information

  • CAS No. 88796-54-7
  • Cat. No. CS-0498513
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₂N₄O₂
  • Molecular Weight 138.08
  • Synonym(s) 3,5-dioxo-2H-1,2,4-triazine-6-carbonitrile
  • SMILES N#CC1=NNC(NC1=O)=O

Synthesis

  • Route1
    • null|null
      91459-47-1
    • ~89%
    • 3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile|CS-0498513
      88796-54-7

    References

    • Rusinov, V. L.; Dragunova, T. V.; Zyryanov, V. A.; Aleksandrov, G. G.; Klyuev, N. A.; Chupakhin, O. N. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1984 , vol. 20, # 4 p. 455 - 459 Khimiya Geterotsiklicheskikh Soedinenii, 1984 , vol. 20, # 4 p. 557 - 561
  • Route2

    References

    • Farkas, Jiri Collection of Czechoslovak Chemical Communications, 1983 , vol. 48, # 9 p. 2676 - 2681

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

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Computational Chemistry Data

  • TPSA   102.4
  • LogP   -1.67012
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   0

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