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CS-W001157 4
Total: USD 88.00

1-(4-Nitrobenzyl)-1H-1,2,4-triazole

  • CAS No. 119192-09-5

  • Cat. No. CS-0316626
  • Molecule weight204.19
  • Purity95+%
  • MDL No.None

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

1-(4-Nitrobenzyl)-1H-1,2,4-triazole|CS-0316626

Structure of 119192-09-5

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General Information

  • CAS No. 119192-09-5
  • Cat. No. CS-0316626
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₄O₂
  • Molecular Weight 204.19
  • Synonym(s) 1-[(4-Nitrophenyl)methyl]-1H-1,2,4-triazole
  • SMILES C1=C(C=CC(=C1)[N+](=O)[O-])CN2C=NC=N2

Synthesis

  • Route1
    • Rizatriptan Impurity 13|CS-1004333
      6085-99-0
    • ~65%
    • 1-(4-Nitrobenzyl)-1H-1,2,4-triazole|CS-0316626
      119192-09-5

    References

    • European Journal of Medicinal Chemistry, , vol. 24, # 5 p. 537 - 540
  • Route2
    • null|null
      40970-34-1
    • ~%
    • 1-(4-Nitrobenzyl)-1H-1,2,4-triazole|CS-0316626
      119192-09-5

    References

    • WO2006/137083 A1, ; Abstract ;
  • Route3

    References

    • Farmaco, , vol. 44, # 9 p. 831 - 841

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   73.85
  • LogP   1.2346
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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