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CS-W001157 4
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2-Bromo-1-(3-fluorophenyl)ethan-1-one

  • CAS No. 53631-18-8

  • Cat. No. CS-W008243
  • Purity≥97%
  • MDL No.MFCD00109756

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

2-Bromo-1-(3-fluorophenyl)ethan-1-one|CS-W008243

Structure of 53631-18-8

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General Information

  • CAS No. 53631-18-8
  • Cat. No. CS-W008243
  • Purity ≥97%
  • MDL No. MFCD00109756
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆BrFO
  • Molecular Weight 217.04
  • Synonym(s) 2-bromo-1-(3-fluorophenyl)ethanone
  • SMILES C1=C(C=CC=C1F)C(CBr)=O

Description

2-Bromo-1-(3-fluorophenyl)ethan-1-one features a brominated ketone scaffold linked to a fluorinated aromatic ring, delivering enhanced reactivity in cross-coupling and functionalization processes. This bench-stable compound integrates readily into complex molecular architectures under standard conditions.

Application

2-Bromo-1-(3-fluorophenyl)ethan-1-one serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted phenylalkyl scaffolds. Its bromo group facilitates palladium-catalyzed cross-coupling reactions, while the ketone functionality supports nucleophilic additions and enolate chemistry. The 3-fluorophenyl moiety enhances metabolic stability and modulates electronic properties, making it valuable for medicinal chemistry applications. Bench-stable and amenable to standard purification methods, it functions effectively in multistep synthesis workflows.

Synthesis

  • Route1

    References

    • Tetrahedron Letters, , vol. 53, # 2 p. 191 - 195
  • Route2
    • null|null
      67-56-1
    • In-stock
      1-(3-Fluorophenyl)ethan-1-one|CS-D1392
      455-36-7
    • ~38%
    • null|null
      1353125-19-5
    • In-stock
      2-Bromo-1-(3-fluorophenyl)ethan-1-one|CS-W008243
      53631-18-8

    References

    • Tetrahedron Letters, , vol. 53, # 2 p. 191 - 195

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

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.4033
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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