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1-(Phenoxymethyl)-1H-benzo[d][1,2,3]triazole

  • CAS No. 111198-02-8

  • Cat. No. CS-0554247
  • Purity≥98%
  • MDL No.None

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

1-(Phenoxymethyl)-1H-benzo[d][1,2,3]triazole|CS-0554247

Structure of 111198-02-8

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General Information

  • CAS No. 111198-02-8
  • Cat. No. CS-0554247
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₁N₃O
  • Molecular Weight 225.25
  • Synonym(s) 1-(Phenoxymethyl)-1H-benzotriazole
  • SMILES C1=CC=C(C=C1)OCN2C3=CC=CC=C3N=N2

Synthesis

  • Route1

    References

    • Katritzky, Alan R.; Serdyuk, Larisa; Xie, Linghong Journal of the Chemical Society - Perkin Transactions 1, 1998 , # 6 p. 1059 - 1064
  • Route2

    References

    • Katritzky, Alan R.; Rachwal, Stanislaw; Rachwal, Bogumila Journal of Organic Chemistry, 1989 , vol. 54, # 26 p. 6022 - 6029
  • Route3
    • 1H-Benzo[d][1,2,3]triazole Bortezomib Impurity|CS-0229225
      95-14-7
    • ~%
    • 1-(Phenoxymethyl)-1H-benzo[d][1,2,3]triazole|CS-0554247
      111198-02-8

    References

    • Dumas, Aaron M.; Bode, Jeffrey W. Organic Letters, 2012 , vol. 14, # 8 p. 2138 - 2141

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-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   39.94
  • LogP   2.4678
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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