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CS-W001157 4
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3-(4-Bromo-2-chlorophenyl)propanoic acid

  • CAS No. 1261725-56-7

  • Cat. No. CS-0161240
  • Molecule weight263.52
  • Purity≥97%
  • MDL No.MFCD18390614

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

3-(4-Bromo-2-chlorophenyl)propanoic acid|CS-0161240

Structure of 1261725-56-7

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General Information

  • CAS No. 1261725-56-7
  • Cat. No. CS-0161240
  • Purity ≥97%
  • MDL No. MFCD18390614
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈BrClO₂
  • Molecular Weight 263.52
  • Synonym(s) 3-(4-Bromo-2-chloro-phenyl)-propionic acid
  • SMILES O=C(O)CCC1=CC=C(Br)C=C1Cl

Description

This 3-(4-bromo-2-chlorophenyl)propanoic acid features a brominated and chlorinated aromatic core paired with a propanoic acid side chain, enabling direct integration into bioactive molecule scaffolds. The electron-withdrawing halogens enhance metabolic stability and influence binding affinity in medicinal chemistry applications.

Application

3-(4-Bromo-2-chlorophenyl)propanoic acid serves as a versatile building block for medicinal chemistry and agrochemical synthesis, enabling efficient construction of biaryl-containing scaffolds. Its ortho-halogenated aryl group facilitates palladium-catalyzed cross-coupling reactions, while the carboxylic acid functionality supports direct derivatization or incorporation into peptide-like frameworks. The compound exhibits excellent bench stability and compatibility with standard purification techniques.

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   3.1197
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   3

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