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CS-W001157 4
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1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone Fluconazole Impurity

  • CAS No. 86404-63-9

  • Cat. No. CS-0214084
  • Molecule weightNone
  • Purity≥98%
  • MDL No.MFCD02093825

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

1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone Fluconazole Impurity|CS-0214084

Structure of 86404-63-9

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General Information

  • CAS No. 86404-63-9
  • Cat. No. CS-0214084
  • Purity ≥98%
  • MDL No. MFCD02093825
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇F₂N₃O
  • Molecular Weight None
  • Synonym(s) 2',4'-Difluoro-alpha-(1H-1,2,4-Triazol-1-yl)Acetophenone; 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone
  • SMILES FC1=CC=C(C(CN2N=CN=C2)=O)C(F)=C1

Synthesis

  • Route1

    References

    • Tetrahedron Letters, , vol. 47, # 36 p. 6479 - 6483
  • Route2

    References

    • European Journal of Medicinal Chemistry, , vol. 45, # 12 p. 6020 - 6026
  • Route3
    • null|null
      372-18-9
    • ~%
    • 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone Fluconazole Impurity|CS-0214084
      86404-63-9

    References

    • Synthetic Communications, , vol. 37, # 2 p. 199 - 207

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

Quality Control

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Computational Chemistry Data

  • TPSA   47.78
  • LogP   1.4392
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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