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CS-W001157 4
Total: USD 88.00

6-Bromo-3-chlorobenzo[b]thiophene-2-carboxylic acid

  • CAS No. 438613-29-7

  • Cat. No. CS-0533760
  • Purity≥96%
  • MDL No.MFCD02090814

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

6-Bromo-3-chlorobenzo[b]thiophene-2-carboxylic acid|CS-0533760

Structure of 438613-29-7

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General Information

  • CAS No. 438613-29-7
  • Cat. No. CS-0533760
  • Purity ≥96%
  • MDL No. MFCD02090814
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₄BrClO₂S
  • Molecular Weight None
  • Synonym(s) 6-Bromo-3-chloro-1-benzothiophene-2-carboxylic acid
  • SMILES O=C(C1=C(Cl)C2=CC=C(Br)C=C2S1)O

Description

6-Bromo-3-chlorobenzo[b]thiophene-2-carboxylic acid features a fused heterocyclic core with strategically positioned halogen substituents enabling direct functionalization in cross-coupling reactions. The carboxylic acid group provides a handle for derivatization, while the electron-deficient thiophene ring enhances reactivity in transition-metal-catalyzed transformations. This scaffold offers high stability under standard conditions and is well-suited for pharmaceutical and agrochemical synthesis.

Application

6-Bromo-3-chlorobenzo[b]thiophene-2-carboxylic acid serves as a versatile building block for the synthesis of biologically relevant heterocycles and pharmaceutical intermediates. Its dual halogenation pattern enables selective cross-coupling reactions, while the carboxylic acid functionality facilitates derivatization via amide, ester, or acyl transfer protocols. The molecule exhibits good bench stability and is compatible with standard purification methods, making it well-suited for iterative synthetic sequences in medicinal chemistry and process development.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   4.0154
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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