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CS-W001157 4
Total: USD 88.00

6-Chloroconazole impurity 17

  • CAS No. 188416-35-5

  • Cat. No. CS-0001500
  • Purity≥95%
  • MDL No.MFCD08063925

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

6-Chloroconazole impurity 17|CS-0001500

Structure of 188416-35-5

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General Information

  • CAS No. 188416-35-5
  • Cat. No. CS-0001500
  • Purity ≥95%
  • MDL No. MFCD08063925
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₃ClF₃N₅O
  • Molecular Weight 383.76
  • Synonym(s) None
  • SMILES FC1=C(Cl)N=CN=C1C(C)C(CN2N=CN=C2)(O)C(C(F)=C3)=CC=C3F

Synthesis

  • Route1
    • 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone Fluconazole Impurity|CS-0214084
      86404-63-9
    • In-stock
      4-Chloro-6-ethyl-5-fluoropyrimidine|CS-B1291
      137234-74-3
    • ~27%
    • In-stock
      6-Chloroconazole impurity 17|CS-0001500
      188416-35-5

    References

    • DR. REDDY'S LABORATORIES LTD.; DR. REDDY'S LABORATORIES, INC. Patent: WO2006/65726 A2, 2006 ; Location in patent: Page/Page column 17-18 ;
  • Route2
    • 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone Fluconazole Impurity|CS-0214084
      86404-63-9
    • ~%
    • In-stock
      6-Chloroconazole impurity 17|CS-0001500
      188416-35-5

    References

    • US5278175 A1, ;
  • Route3

    References

    • US2011/312977 A1, ;

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   76.72
  • LogP   2.8303
  • H_Acceptors   6
  • H_Donors   1
  • Rotatable_Bonds   5

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