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1-(3,5-Dichloro-4-fluorophenyl)-2,2,2-trifluoroethan-1-one

  • CAS No. 1190865-44-1

  • Cat. No. CS-0102824
  • Purity≥95%
  • MDL No.MFCD23382507

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

1-(3,5-Dichloro-4-fluorophenyl)-2,2,2-trifluoroethan-1-one|CS-0102824

Structure of 1190865-44-1

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General Information

  • CAS No. 1190865-44-1
  • Cat. No. CS-0102824
  • Purity ≥95%
  • MDL No. MFCD23382507
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₂Cl₂F₄O
  • Molecular Weight 261.00
  • Synonym(s) 1-(3,5-Dichloro-4-fluorophenyl)-2,2,2-trifluoroethanone
  • SMILES FC(F)(F)C(C1=CC(Cl)=C(F)C(Cl)=C1)=O

Description

This trifluoromethyl ketone features a 3,5-dichloro-4-fluorophenyl moiety linked to a trifluoromethyl group via a carbonyl. The electron-deficient aryl ring enhances reactivity in nucleophilic substitution and coupling processes. Bench-stable and moisture-tolerant, it serves as a key intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals.

Application

1-(3,5-Dichloro-4-fluorophenyl)-2,2,2-trifluoroethan-1-one serves as a key electrophilic building block in medicinal chemistry, enabling efficient construction of fluorinated aryl ketones via standard nucleophilic addition reactions. Its trifluoromethyl ketone functionality exhibits enhanced metabolic stability and modulates lipophilicity, facilitating integration into bioactive scaffolds. The molecule demonstrates robust bench stability and compatibility with common purification methods, supporting scalable synthesis workflows.

Safety Information

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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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   3.8775
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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