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CS-W001157 4
Total: USD 88.00

2,4-Dibromobenzoic acid

  • CAS No. 611-00-7

  • Cat. No. CS-W010056
  • Purity≥97%
  • MDL No.MFCD00234253

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

2,4-Dibromobenzoic acid|CS-W010056

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General Information

  • CAS No. 611-00-7
  • Cat. No. CS-W010056
  • Purity ≥97%
  • MDL No. MFCD00234253
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄Br₂O₂
  • Molecular Weight 279.92
  • Synonym(s) 4-DIBROMOBENZOIC ACID
  • SMILES C1=CC(=CC(=C1C(O)=O)Br)Br

Description

Selective antagonist at GABA-B receptors

Application

2,4-Dibromobenzoic acid serves as a versatile building block in synthetic organic chemistry, enabling direct functionalization at the 3- and 5-positions of the aromatic ring. Its dual bromine substituents facilitate palladium-catalyzed cross-coupling reactions, while the carboxylic acid group allows for straightforward derivatization via esterification, amide formation, or decarboxylation. The compound exhibits good bench stability and is readily purified by recrystallization, making it well-suited for use in medicinal chemistry and materials science applications.

Synthesis

  • Route1

    References

    • Blackhall, Alexander; Brydon, Donald L.; Javaid, Khalid; Sagar, Anthony J. G.; Smith, David M. Journal of Chemical Research, Miniprint, 1984 , # 12 p. 3485 - 3497
  • Route2

    References

    • Wolk, Joel L.; Frimer, Aryeh A. Molecules, 2010 , vol. 15, # 8 p. 5561 - 5580
  • Route3

    References

    • Heiss, Christophe; Marzi, Elena; Schlosser, Manfred European Journal of Organic Chemistry, 2003 , # 23 p. 4625 - 4629

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

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.9098
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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