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CS-W001157 4
Total: USD 88.00

4-Bromo-3-iodobenzoic acid

  • CAS No. 42860-06-0

  • Cat. No. CS-W007229
  • Purity≥97%
  • MDL No.MFCD12406813

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

4-Bromo-3-iodobenzoic acid|CS-W007229

Structure of 42860-06-0

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General Information

  • CAS No. 42860-06-0
  • Cat. No. CS-W007229
  • Purity ≥97%
  • MDL No. MFCD12406813
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄BrIO₂
  • Molecular Weight 326.91
  • Synonym(s) 3-Iodo-4-bromobenzoic acid
  • SMILES OC(=O)C1=CC(I)=C(Br)C=C1

Description

4-Bromo-3-iodobenzoic acid features a benzoic acid core substituted with bromo and iodo groups at the 4- and 3-positions, respectively. This electron-deficient aromatic system enables efficient cross-coupling reactions in palladium-catalyzed transformations. The carboxylic acid functionality provides a handle for derivatization, while the halogen atoms offer orthogonal reactivity. Bench-stable and moisture-tolerant, it serves as a valuable building block in synthetic organic chemistry and pharmaceutical development.

Application

4-Bromo-3-iodobenzoic acid serves as a versatile building block for palladium-catalyzed cross-coupling reactions, enabling efficient construction of biaryl and heteroaryl scaffolds. The orthogonal halogenation pattern facilitates sequential functionalization, while the carboxylic acid group allows for direct derivatization or incorporation into pharmaceutical intermediates. Its bench-stable crystalline form supports straightforward handling and purification in synthetic workflows.

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.7519
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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