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CS-W001157 4
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6-Bromobenzofuran-2-carboxylic acid

  • CAS No. 439107-94-5

  • Cat. No. CS-0005588
  • Purity≥97%
  • MDL No.MFCD03012913

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

6-Bromobenzofuran-2-carboxylic acid|CS-0005588

Structure of 439107-94-5

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General Information

  • CAS No. 439107-94-5
  • Cat. No. CS-0005588
  • Purity ≥97%
  • MDL No. MFCD03012913
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅BrO₃
  • Molecular Weight 241.04
  • Synonym(s) 6-bromo-2-Benzofurancarboxylic acid
  • SMILES O=C(C1=CC2=CC=C(Br)C=C2O1)O

Description

6-Bromobenzofuran-2-carboxylic acid features a bromine substituent at the 6-position of the benzofuran core, enhancing electrophilic reactivity. The carboxylic acid group provides a handle for derivatization via amide or ester formation. This scaffold integrates readily into bioactive molecule synthesis and serves as a key intermediate in medicinal chemistry campaigns targeting kinase inhibitors and heterocyclic drug candidates.

Application

6-Bromobenzofuran-2-carboxylic acid serves as a versatile building block for the synthesis of functionalized heterocycles and pharmaceutical intermediates. Its bromine substituent enables palladium-catalyzed cross-coupling reactions, while the carboxylic acid group facilitates derivatization via amide formation or esterification. The molecule exhibits good bench stability and compatibility with standard synthetic protocols, making it well-suited for iterative medicinal chemistry campaigns and scale-up applications.

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   50.44
  • LogP   2.8935
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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