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CS-W001157 4
Total: USD 88.00

4-Bromo-3-chlorobenzoic acid

  • CAS No. 25118-59-6

  • Cat. No. CS-W008636
  • Purity≥98%
  • MDL No.MFCD08276864

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

4-Bromo-3-chlorobenzoic acid|CS-W008636

Structure of 25118-59-6

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General Information

  • CAS No. 25118-59-6
  • Cat. No. CS-W008636
  • Purity ≥98%
  • MDL No. MFCD08276864
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄BrClO₂
  • Molecular Weight 235.46
  • Synonym(s) 3-Chloro-4-bromobenzoic acid; 3-chloro-4-Bromor-benzoic acid
  • SMILES O=C(O)C1=CC=C(Br)C(Cl)=C1

Description

Phenyl chloroformate is used in the synthesis of poly(2-(phenoxycarbonyloxy)ethyl methacrylate) and phenyl-(4-vinylphenyl) carbonate. It acts as a precursor of phenyl mixed anhydrides which are used in peptide coupling reactions. It serves as a dehydrating reagent for the conversion of primary amides to nitriles and an intermediate in the synthesis of pharmaceuticals and carbamates.

Application

4-Bromo-3-chlorobenzoic acid serves as a versatile building block in medicinal chemistry and materials science, enabling direct functionalization at the aromatic ring through palladium-catalyzed cross-coupling reactions. Its dual halogenation pattern supports sequential or orthogonal transformations, while the carboxylic acid group facilitates derivatization via amide, ester, or acyl chloride formation. The compound exhibits good bench stability and is readily purified by recrystallization, making it well-suited for scalable synthesis of complex heterocycles and bioactive scaffolds.

Synthesis

  • Route1

    References

    • Journal of the Chemical Society, , vol. 85, p. 1269 Journal of the Chemical Society, , vol. 105, p. 1910
  • Route2

    References

    • EP279698 A3, ;
  • Route3

    References

    • Journal of the Indian Chemical Society, , vol. 57, # 6 p. 640 - 642

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06,GHS09
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H410
Precautionary Statements : P264-P270-P273-P330-P391-P405-P501

Quality Control

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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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