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CS-W001157 4
Total: USD 88.00

4-Bromo-2-chloronicotinic acid

  • CAS No. 1060805-68-6

  • Cat. No. CS-0063171
  • Purity≥95%
  • MDL No.None

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

4-Bromo-2-chloronicotinic acid|CS-0063171

Structure of 1060805-68-6

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General Information

  • CAS No. 1060805-68-6
  • Cat. No. CS-0063171
  • Purity ≥95%
  • MDL No. None
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₃BrClNO₂
  • Molecular Weight 236.45
  • Synonym(s) None
  • SMILES O=C(C1=C(Br)C=CN=C1Cl)O

Description

4-Bromo-2-chloronicotinic acid is a halogenated pyridine carboxylic acid featuring strategically positioned bromo and chloro substituents that enhance electrophilic reactivity and metabolic stability. This electron-deficient heterocycle integrates readily into medicinal chemistry scaffolds, serving as a key building block for bioactive compounds in drug discovery and agrochemical development.

Application

4-Bromo-2-chloronicotinic acid serves as a versatile building block in the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its ortho-halogenated pyridine core enables palladium-catalyzed cross-coupling reactions, while the carboxylic acid group facilitates direct derivatization or amide formation. The compound exhibits good bench stability and is compatible with standard purification protocols, making it well-suited for iterative synthetic sequences in medicinal chemistry and process development.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   50.19
  • LogP   2.1957
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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