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CS-W001157 4
Total: USD 88.00

5-Bromo-1H-imidazole-4-carboxylic acid

  • CAS No. 50743-02-7

  • Cat. No. CS-0373016
  • Molecule weight190.98
  • Purity≥98%
  • MDL No.MFCD22194833

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

5-Bromo-1H-imidazole-4-carboxylic acid|CS-0373016

Structure of 50743-02-7

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General Information

  • CAS No. 50743-02-7
  • Cat. No. CS-0373016
  • Purity ≥98%
  • MDL No. MFCD22194833
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₃BrN₂O₂
  • Molecular Weight 190.98
  • Synonym(s) 4-bromo-1H-imidazole-5-carboxylic acid
  • SMILES O=C(C1=C(Br)NC=N1)O

Description

5-Bromo-1H-imidazole-4-carboxylic acid features a brominated imidazole core with a carboxylic acid at the 4-position, enabling direct conjugation or derivatization. This electron-deficient heterocycle integrates readily into bioactive scaffolds and serves as a key building block in medicinal chemistry and agrochemical development.

Application

5-Bromo-1H-imidazole-4-carboxylic acid serves as a versatile building block for heterocyclic synthesis, enabling efficient access to imidazole-based scaffolds through palladium-catalyzed cross-coupling and nucleophilic substitution reactions. The bromo and carboxylic acid functionalities offer orthogonal reactivity for sequential derivatization, while the compound exhibits good bench stability and ease of purification, making it well-suited for medicinal chemistry campaigns and API intermediate 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 : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   65.98
  • LogP   0.8704
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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