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CS-W001157 4
Total: USD 88.00

2-(4-Bromo-2-chlorophenyl)acetic acid

  • CAS No. 916516-89-7

  • Cat. No. CS-W005417
  • Purity≥98%
  • MDL No.MFCD11847409

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

2-(4-Bromo-2-chlorophenyl)acetic acid|CS-W005417

Structure of 916516-89-7

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General Information

  • CAS No. 916516-89-7
  • Cat. No. CS-W005417
  • Purity ≥98%
  • MDL No. MFCD11847409
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆BrClO₂
  • Molecular Weight 249.49
  • Synonym(s) None
  • SMILES O=C(O)CC1=CC=C(Br)C=C1Cl

Description

2-(4-Bromo-2-chlorophenyl)acetic acid features a brominated and chlorinated aromatic core paired with a carboxylic acid side chain, enabling direct integration into pharmaceutical intermediates. The electron-deficient aryl moiety enhances reactivity in coupling processes, while the pendant acid group facilitates derivatization under standard conditions. This compound serves as a key building block for bioactive molecules requiring halogenated phenyl motifs.

Application

2-(4-Bromo-2-chlorophenyl)acetic acid serves as a key building block in the synthesis of bioactive molecules, particularly in medicinal chemistry and agrochemical development. Its defined substitution pattern enables predictable coupling reactions and facilitates integration into diverse heterocyclic scaffolds. The molecule exhibits good bench stability, ease of purification, and compatibility with standard functional group transformations, making it a reliable intermediate for targeted compound libraries.

Synthesis

  • Route1

    References

    • AFRAXIS, INC.; CAMPBELL, David; DURÓN, Sergio, G. Patent: WO2013/43232 A2, 2013 ; Location in patent: Paragraph 00502 ; WO 2013/043232 A2
  • Route2

    References

    • WO2013/43232 A2, ; WO 2013/043232 A2
  • Route3

    References

    • WO2013/43232 A2, ; WO 2013/043232 A2

Safety Information

Download SDS
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

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.7296
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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