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2-Bromo-1-(4-chloro-3-fluorophenyl)ethan-1-one

  • CAS No. 231297-62-4

  • Cat. No. CS-0198629
  • Molecule weight251.48
  • Purity≥98%
  • MDL No.MFCD13194237

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

2-Bromo-1-(4-chloro-3-fluorophenyl)ethan-1-one|CS-0198629

Structure of 231297-62-4

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General Information

  • CAS No. 231297-62-4
  • Cat. No. CS-0198629
  • Purity ≥98%
  • MDL No. MFCD13194237
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅BrClFO
  • Molecular Weight 251.48
  • Synonym(s) 2-Bromo-4'-chloro-3'-fluoroacetophenone
  • SMILES FC1=CC(C(CBr)=O)=CC=C1Cl

Description

2-Bromo-1-(4-chloro-3-fluorophenyl)ethan-1-one features a brominated ketone moiety linked to a fluorinated chlorophenyl group, delivering enhanced reactivity in cross-coupling transformations. This electron-deficient aryl ketone exhibits stability under standard conditions and integrates efficiently into complex molecular architectures.

Application

2-Bromo-1-(4-chloro-3-fluorophenyl)ethan-1-one serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of pharmaceutically relevant heterocycles and biaryl scaffolds. Its bromo ketone functionality facilitates palladium-catalyzed cross-coupling reactions and acts as a key intermediate in the synthesis of fluorinated aryl motifs. The molecule exhibits good bench stability and compatibility with standard purification techniques, supporting reliable integration into multi-step syntheses for medicinal chemistry and process development workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   3.0567
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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