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CS-W001157 4
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2-Bromo-1-(4-fluoro-3-(trifluoromethyl)phenyl)ethanone

  • CAS No. 537050-14-9

  • Cat. No. CS-W012235
  • Molecule weight285.04
  • Purity≥98%
  • MDL No.MFCD03094509

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

2-Bromo-1-(4-fluoro-3-(trifluoromethyl)phenyl)ethanone|CS-W012235

Structure of 537050-14-9

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General Information

  • CAS No. 537050-14-9
  • Cat. No. CS-W012235
  • Purity ≥98%
  • MDL No. MFCD03094509
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅BrF₄O
  • Molecular Weight 285.04
  • Synonym(s) 4-Fluoro-3-(Trifluoromethyl)phenacylbromide
  • SMILES O=C(C1=CC=C(F)C(C(F)(F)F)=C1)CBr

Description

2-Bromo-1-(4-fluoro-3-(trifluoromethyl)phenyl)ethanone is a fluorinated aryl ketone featuring a bromo-substituted acetyl group. This electron-deficient scaffold enables efficient cross-coupling reactions in synthetic organic chemistry, particularly in palladium-catalyzed transformations. The trifluoromethyl and fluoro substituents enhance metabolic stability and modulate electronic properties for targeted reactivity.

Application

2-Bromo-1-(4-fluoro-3-(trifluoromethyl)phenyl)ethanone serves as a versatile building block for constructing fluorinated aromatic ketones and heterocyclic scaffolds. Its bromo and trifluoromethyl groups enable selective functionalization via cross-coupling reactions, while the keto functionality facilitates nucleophilic additions and condensation processes. Bench-stable and compatible with standard purification methods, it supports efficient synthesis of complex intermediates in medicinal chemistry and materials science workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅱ
Hazard Statements : H290-H314
Precautionary Statements : P234-P260-P264-P280-P301+P330+P331-P304+P340-P363-P390-P405-P406-P501

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   3.4221
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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