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CS-W001157 4
Total: USD 88.00

1-(2,4-Dichlorophenyl)-4,4,4-trifluorobutane-1,3-dione

  • CAS No. 94856-22-1

  • Cat. No. CS-0467365
  • Purity≥98%
  • MDL No.None

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

1-(2,4-Dichlorophenyl)-4,4,4-trifluorobutane-1,3-dione|CS-0467365

Structure of 94856-22-1

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General Information

  • CAS No. 94856-22-1
  • Cat. No. CS-0467365
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₅Cl₂F₃O₂
  • Molecular Weight 285.05
  • Synonym(s) 4,4,4-TRIFLUORO-1-(2,4-DICHLOROPHENYL)-1,3-BUTANEDIONE
  • SMILES C1=CC(=C(C=C1Cl)Cl)C(=O)CC(=O)C(F)(F)F

Synthesis

  • Route1
    • null|null
      383-63-1
    • 1-(2,4-Dichlorophenyl)ethan-1-one Ketoconazole Impurity|CS-0528658
      2234-16-4
    • ~62%
    • 1-(2,4-Dichlorophenyl)-4,4,4-trifluorobutane-1,3-dione|CS-0467365
      94856-22-1

    References

    • Fustero, Santos; Roman, Raquel; Sanz-Cervera, Juan F.; Simon-Fuentes, Antonio; Cunat, Ana C.; Villanova, Salvador; Murguia, Marcelo Journal of Organic Chemistry, 2008 , vol. 73, # 9 p. 3523 - 3529
  • Route2
    • 1-(2,4-Dichlorophenyl)ethan-1-one Ketoconazole Impurity|CS-0528658
      2234-16-4
    • ~66%
    • 1-(2,4-Dichlorophenyl)-4,4,4-trifluorobutane-1,3-dione|CS-0467365
      94856-22-1

    References

    • J.B. Chemicals and Pharmaceuticals Limited Patent: US2001/47023 A1, 2001 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   3.6976
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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