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CS-W001157 4
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1-Methyl-3-nitro-1h-1,2,4-triazole

  • CAS No. 26621-45-4

  • Cat. No. CS-0238430
  • Purity≥95%
  • MDL No.MFCD02853217

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

1-Methyl-3-nitro-1h-1,2,4-triazole|CS-0238430

Structure of 26621-45-4

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General Information

  • CAS No. 26621-45-4
  • Cat. No. CS-0238430
  • Purity ≥95%
  • MDL No. MFCD02853217
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃H₄N₄O₂
  • Molecular Weight 128.09
  • Synonym(s) 1H-1,2,4-Triazole,1-methyl-3-nitro-(8CI,9CI)
  • SMILES CN1C=NC(=N1)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Sukhanov; Lukin Chemistry of Heterocyclic Compounds, 2005 , vol. 41, # 7 p. 861 - 865
  • Route2

    References

    • Middleton; Monney; Parrick Synthesis, 1984 , vol. NO. 9, p. 740 - 743
  • Route3

    References

    • Pevzner, M. S.; Kurenkov, A. A.; Trubitsin, A. E. Russian Journal of Organic Chemistry, 1994 , vol. 30, # 9 p. 1470 - 1475 Zhurnal Organicheskoi Khimii, 1994 , vol. 30, # 9 p. 1398 - 1403

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362

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Computational Chemistry Data

  • TPSA   73.85
  • LogP   -0.2767
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   1

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