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CS-W001157 4
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3,4-Dibromobenzoic acid

  • CAS No. 619-03-4

  • Cat. No. CS-W021794
  • Purity≥97%
  • MDL No.MFCD00094403

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

3,4-Dibromobenzoic acid|CS-W021794

Structure of 619-03-4

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General Information

  • CAS No. 619-03-4
  • Cat. No. CS-W021794
  • Purity ≥97%
  • MDL No. MFCD00094403
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄Br₂O₂
  • Molecular Weight 279.91
  • Synonym(s) benzoic acid, 3,4-dibromo-
  • SMILES O=C(O)C1=CC=C(Br)C(Br)=C1

Description

3,4-Dibromobenzoic acid features a rigid aromatic core bearing two bromine atoms at adjacent positions, delivering enhanced electrophilicity and predictable reactivity in cross-coupling transformations. This bench-stable derivative integrates seamlessly into synthetic routes requiring halogen-directed functionalization, offering high compatibility with palladium-catalyzed processes and enabling efficient access to complex polycyclic architectures under standard conditions.

Application

3,4-Dibromobenzoic acid serves as a versatile building block for the synthesis of brominated aromatic intermediates and heterocyclic scaffolds. Its dual bromine substituents enable sequential cross-coupling reactions, while the carboxylic acid group facilitates direct derivatization or activation for amide and ester formation. The compound exhibits excellent bench stability and is compatible with standard purification protocols, making it well-suited for use in medicinal chemistry and process development workflows.

Synthesis

  • Route1
    • In-stock
      1,2-Dibromo-3-nitrobenzene|CS-0157256
      26429-41-4
    • null|null
      151-50-8
    • ~%
    • In-stock
      3,4-Dibromobenzoic acid|CS-W021794
      619-03-4

    References

    • Bunnett et al. Journal of the American Chemical Society, 1954 , vol. 76, p. 5755,5761
  • Route2

    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
  • Route3

    References

    • Claus; Reh Justus Liebigs Annalen der Chemie, 1891 , vol. 266, p. 203 Full Text Show Details Huebner; Angerstein Justus Liebigs Annalen der Chemie, 1871 , vol. 158, p. 10

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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