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CS-W001157 4
Total: USD 88.00

3-Bromo-2-chlorobenzoic acid

  • CAS No. 56961-27-4

  • Cat. No. CS-W005002
  • Purity≥97%
  • MDL No.MFCD01569399

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

3-Bromo-2-chlorobenzoic acid|CS-W005002

Structure of 56961-27-4

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General Information

  • CAS No. 56961-27-4
  • Cat. No. CS-W005002
  • Purity ≥97%
  • MDL No. MFCD01569399
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄BrClO₂
  • Molecular Weight 235.46
  • Synonym(s) benzoic acid, 3-bromo-2-chloro-; 3-Bromo-2-chlorobenzoic acid
  • SMILES BrC1=CC=CC(=C1Cl)C(=O)O

Description

Dansyl chloride is a fluorogenic reagent used for protein, N-terminal amino acid and peptide detection by reverse phase high performance liquid chromatography (HPLC). It is also used to determine the degree of labeling in chymotrypsin and ovalbumin. It acts as a precursor for the synthesis of other derivatives like dansyl amide.

Application

3-Bromo-2-chlorobenzoic acid serves as a versatile building block for the synthesis of biologically active heterocycles and pharmaceutical intermediates. Its ortho-halogenated benzoic acid framework enables palladium-catalyzed cross-coupling reactions, while the carboxylic acid group facilitates direct derivatization or salt formation. The molecule exhibits excellent bench stability and compatibility with standard purification methods, making it well-suited for iterative synthetic sequences in medicinal chemistry and process development.

Synthesis

  • Route1

    References

    • WO2006/86229 A1, ; Page/Page column 59 ; WO 2006/086229 A1
  • Route2
    • In-stock
      1-Bromo-2-chlorobenzene|CS-W004051
      694-80-4
    • null|null
      124-38-9
    • ~55%
    • In-stock
      3-Bromo-2-chlorobenzoic acid|CS-W005002
      56961-27-4

    References

    • Moyroud, Joel; Guesnet, Jean-Luc; Bennetau, Bernard; Mortier, Jacques Bulletin de la Societe Chimique de France, 1996 , vol. 133, # 2 p. 133 - 141
  • Route3

    References

    • Gohier, Frederic; Mortier, Jacques Journal of Organic Chemistry, 2003 , vol. 68, # 5 p. 2030 - 2033

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   2.8007
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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