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CS-W001157 4
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2-Bromo-3-iodobenzoic acid

  • CAS No. 855198-37-7

  • Cat. No. CS-0028785
  • Purity≥96%
  • MDL No.MFCD11036150

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

2-Bromo-3-iodobenzoic acid|CS-0028785

Structure of 855198-37-7

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General Information

  • CAS No. 855198-37-7
  • Cat. No. CS-0028785
  • Purity ≥96%
  • MDL No. MFCD11036150
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄BrIO₂
  • Molecular Weight 326.91
  • Synonym(s) 2-Bromo-3-iodo-benzoic acid
  • SMILES O=C(O)C1=CC=CC(I)=C1Br

Description

2-Bromo-3-iodobenzoic acid features a benzoic acid core substituted with bromine at the ortho position and iodine at the meta position, enabling direct functionalization in cross-coupling reactions. The dual halogenation pattern supports sequential derivatization, while the carboxylic acid group facilitates conjugation or salt formation. This compound serves as a key building block for bioactive molecule synthesis and materials chemistry applications.

Application

2-Bromo-3-iodobenzoic acid serves as a versatile diaryl building block for palladium-catalyzed cross-coupling reactions, enabling efficient construction of biaryl scaffolds. The orthogonal halogenation pattern facilitates sequential functionalization, while the carboxylic acid group allows for direct derivatization or incorporation into pharmaceutical intermediates. Bench-stable and readily purified by recrystallization, it supports scalable synthesis in medicinal chemistry and process development 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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