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2-Bromo-5-chlorobenzoic acid

  • CAS No. 21739-93-5

  • Cat. No. CS-0020115
  • Purity≥98%
  • MDL No.MFCD00013982

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

2-Bromo-5-chlorobenzoic acid|CS-0020115

Structure of 21739-93-5

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General Information

  • CAS No. 21739-93-5
  • Cat. No. CS-0020115
  • Purity ≥98%
  • MDL No. MFCD00013982
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄BrClO₂
  • Molecular Weight 235.46
  • Synonym(s) 5-Chloro-2-bromobenzoic acid; NSC 128879; Benzoic acid, 2-bromo-5-chloro-
  • SMILES O=C(O)C1=CC(Cl)=CC=C1Br

Description

Nalpha-Boc-Nepsilon-Fmoc-D-lysine is commonly used in the synthesis of aza-amino acids.

Application

2-Bromo-5-chlorobenzoic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling direct functionalization at the aromatic ring through palladium-catalyzed cross-coupling reactions. The ortho-bromo and meta-chloro substituents provide complementary reactivity for sequential transformations, while the carboxylic acid group facilitates derivatization via amide formation or esterification. Bench-stable and readily purified by recrystallization, it functions reliably in multi-step syntheses requiring orthogonal functional group handling.

Synthesis

  • Route1

    References

    • US2002/193398 A1, ; US 20020193398 A1
  • Route2

    References

    • Mongin, Florence; Schlosser, Manfred Tetrahedron Letters, 1997 , vol. 38, # 9 p. 1559 - 1562
  • Route3

    References

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

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

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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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