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CS-W001157 4
Total: USD 88.00

1-(3-Bromo-5-iodophenyl)ethan-1-one

  • CAS No. 1003712-14-8

  • Cat. No. CS-0439616
  • Molecule weight324.94
  • Purity≥97%
  • MDL No.None

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

1-(3-Bromo-5-iodophenyl)ethan-1-one|CS-0439616

Structure of 1003712-14-8

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General Information

  • CAS No. 1003712-14-8
  • Cat. No. CS-0439616
  • Purity ≥97%
  • 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) 3'-Iodo-5'-bromoacetophenone
  • SMILES CC(=O)C1=CC(=CC(=C1)I)Br

Description

1-(3-Bromo-5-iodophenyl)ethan-1-one features a dual-halogenated aromatic core with bromine and iodine positioned meta to each other, enabling selective cross-coupling reactions. The acetyl group imparts reactivity for downstream functionalization, while the molecule exhibits stability under standard bench conditions. This compound serves as a key intermediate in the synthesis of complex pharmaceuticals and advanced materials.

Application

1-(3-Bromo-5-iodophenyl)ethan-1-one serves as a versatile diaryl ketone building block for palladium-catalyzed cross-coupling reactions. The bromo and iodo substituents enable sequential functionalization via Suzuki, Stille, or Negishi coupling protocols. Bench-stable and readily purified by recrystallization, it functions effectively in the synthesis of biaryl scaffolds and complex heterocyclic systems relevant to medicinal chemistry and materials science.

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 : H302-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P501

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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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