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Bis(1H-benzo[d][1,2,3]triazol-1-yl)methanone

  • CAS No. 68985-05-7

  • Cat. No. CS-0454950
  • Molecule weight264.24
  • Purity≥98%
  • MDL No.None

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

Bis(1H-benzo[d][1,2,3]triazol-1-yl)methanone|CS-0454950

Structure of 68985-05-7

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General Information

  • CAS No. 68985-05-7
  • Cat. No. CS-0454950
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₈N₆O
  • Molecular Weight 264.24
  • Synonym(s) Bis(benzotriazol-1-yl)methanone
  • SMILES N1(C2=C(C=CC=C2)N=N1)C(N3C4=C(C=CC=C4)N=N3)=O

Synthesis

  • Route1
    • null|null
      75-44-5
    • 1H-Benzo[d][1,2,3]triazole Bortezomib Impurity|CS-0229225
      95-14-7
    • ~87%
    • Bis(1H-benzo[d][1,2,3]triazol-1-yl)methanone|CS-0454950
      68985-05-7

    References

    • Katritzky, Alan R.; Pleynet, David P. M.; Yang, Baozhen Journal of Organic Chemistry, 1997 , vol. 62, # 12 p. 4155 - 4158
  • Route2

    References

    • Katritzky, Alan R.; Zhang, Gui-Fen; Fan, Wei-Qiang; Wu, Jing; Pernak, Juliusz Journal of Physical Organic Chemistry, 1993 , vol. 6, # 10 p. 567 - 573
  • Route3
    • 1H-Benzo[d][1,2,3]triazole Bortezomib Impurity|CS-0229225
      95-14-7
    • null|null
      32315-10-9
    • ~%
    • Bis(1H-benzo[d][1,2,3]triazol-1-yl)methanone|CS-0454950
      68985-05-7

    References

    • Nieuwenhuijzen, Jose W.; Conti, Paolo G. M.; Ottenheijm, Harry C. J.; Linders, Joannes T. M. Tetrahedron Letters, 1998 , vol. 39, # 42 p. 7811 - 7814

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   78.49
  • LogP   1.6924
  • H_Acceptors   7
  • H_Donors   0
  • Rotatable_Bonds   0

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