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CS-W001157 4
Total: USD 88.00

1-(5-Bromo-2-iodophenyl)ethan-1-one

  • CAS No. 1261648-81-0

  • Cat. No. CS-0568265
  • Purity≥98%
  • MDL No.None

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

1-(5-Bromo-2-iodophenyl)ethan-1-one|CS-0568265

Structure of 1261648-81-0

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General Information

  • CAS No. 1261648-81-0
  • Cat. No. CS-0568265
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆BrIO
  • Molecular Weight 324.94
  • Synonym(s) 1-(5-bromo-2-iodophenyl)ethanone
  • SMILES CC(C1=CC(Br)=CC=C1I)=O

Description

1-(5-Bromo-2-iodophenyl)ethan-1-one features a bromo- and iodo-substituted phenyl ring linked to a ketone group, enabling direct use in palladium-catalyzed cross-coupling reactions. The ortho-halogen substitution pattern supports efficient C–C bond formation under standard conditions, delivering complex aryl ketones with high regiocontrol. This bench-stable reagent integrates seamlessly into synthetic workflows requiring halogen-directed functionalization.

Application

1-(5-Bromo-2-iodophenyl)ethan-1-one serves as a versatile building block for palladium-catalyzed cross-coupling reactions, enabling efficient construction of biaryl and heteroaryl scaffolds. The molecule combines bromo and iodo substituents with high regiochemical control, facilitating sequential functionalization. Its ketone functionality offers additional handles for further derivatization, while the bench-stable nature supports reliable handling in multi-step synthesis.

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 : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   3.2563
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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