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CS-W001157 4
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1-(Chloromethyl)-1H-benzo[d][1,2,3]triazole

  • CAS No. 54187-96-1

  • Cat. No. CS-0059188
  • Purity≥97%
  • MDL No.MFCD00216649

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

1-(Chloromethyl)-1H-benzo[d][1,2,3]triazole|CS-0059188

Structure of 54187-96-1

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General Information

  • CAS No. 54187-96-1
  • Cat. No. CS-0059188
  • Purity ≥97%
  • MDL No. MFCD00216649
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆ClN₃
  • Molecular Weight 167.60
  • Synonym(s) 1-(Chloromethyl)-1H-benzotriazole
  • SMILES ClCN1N=NC2=CC=CC=C21

Synthesis

  • Route1

    References

    • Le Borgne, Marc; Na, Young Min; Pagniez, Fabrice; Le Baut, Guillaume; Le Pape, Patrice; Abdala, Hiam Patent: US2004/67998 A1, 2004 ; Location in patent: Page/Page column 23 ;
  • Route2
    • 1H-Benzo[d][1,2,3]triazole Bortezomib Impurity|CS-0229225
      95-14-7
    • null|null
      50-00-0
    • ~96%
    • In-stock
      1-(Chloromethyl)-1H-benzo[d][1,2,3]triazole|CS-0059188
      54187-96-1

    References

    • Katritzky; Ji; Fang; Prakash Journal of Organic Chemistry, 2001 , vol. 66, # 16 p. 5613 - 5615
  • Route3
    • 1H-Benzo[d][1,2,3]triazole Bortezomib Impurity|CS-0229225
      95-14-7
    • ~%
    • In-stock
      1-(Chloromethyl)-1H-benzo[d][1,2,3]triazole|CS-0059188
      54187-96-1

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 7, # 15 p. 2009 - 2014

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅱ
Hazard Statements : H314
Precautionary Statements : P260-P280-P301+P330+P331-P304+P340

Quality Control

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Computational Chemistry Data

  • TPSA   30.71
  • LogP   1.6276
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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