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CS-W001157 4
Total: USD 88.00

1-(2-Chloro-3-fluorophenyl)ethanone

  • CAS No. 161957-57-9

  • Cat. No. CS-W005743
  • Purity≥98%
  • MDL No.MFCD13194221

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

1-(2-Chloro-3-fluorophenyl)ethanone|CS-W005743

Structure of 161957-57-9

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General Information

  • CAS No. 161957-57-9
  • Cat. No. CS-W005743
  • Purity ≥98%
  • MDL No. MFCD13194221
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆ClFO
  • Molecular Weight 172.58
  • Synonym(s) 1-(2-chloro-3-fluorophenyl)ethan-1-one
  • SMILES CC(C1=CC=CC(F)=C1Cl)=O

Description

1-(2-Chloro-3-fluorophenyl)ethanone features a fluorinated aromatic ring with orthogonal halogen substituents, enabling precise electronic tuning. This ketone integrates readily into Suzuki-Miyaura coupling workflows and serves as a key intermediate in pharmaceutical synthesis, where its stability under standard conditions supports reliable functionalization.

Application

1-(2-Chloro-3-fluorophenyl)ethanone serves as a versatile building block in medicinal chemistry, enabling efficient construction of biologically active heterocycles and aryl-substituted ketones. Its ortho-halogenated phenyl moiety facilitates palladium-catalyzed cross-coupling reactions and provides enhanced metabolic stability. The ketone functionality supports nucleophilic additions and condensation reactions, while the molecule exhibits excellent bench stability and compatibility with standard purification techniques.

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

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.6817
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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