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5-Bromo-1H-1,2,3-benzotriazole-7-carboxylic acid

  • CAS No. 1354777-44-8

  • Cat. No. CS-0163119
  • Purity≥98%
  • MDL No.None

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

5-Bromo-1H-1,2,3-benzotriazole-7-carboxylic acid|CS-0163119

Structure of 1354777-44-8

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General Information

  • CAS No. 1354777-44-8
  • Cat. No. CS-0163119
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄BrN₃O₂
  • Molecular Weight 242.03
  • Synonym(s) 5-Bromo-1H-benzotriazole-7-carboxylic acid
  • SMILES O=C(C1=C(NN=N2)C2=CC(Br)=C1)O

Description

5-Bromo-1H-1,2,3-benzotriazole-7-carboxylic acid features a brominated benzotriazole core paired with a carboxylic acid group, enabling direct conjugation or derivatization in synthetic workflows. The electron-deficient triazole ring enhances reactivity in transition metal-catalyzed coupling reactions, while the carboxylic acid facilitates salt formation and purification. This compound serves as a robust scaffold for bioactive molecule synthesis and functional materials development under standard conditions.

Application

5-Bromo-1H-1,2,3-benzotriazole-7-carboxylic acid serves as a versatile building block for the synthesis of functionalized heterocycles and bioactive molecules. The bromo group enables palladium-catalyzed cross-coupling reactions, while the carboxylic acid facilitates amide formation or derivatization. Its stability under standard reaction conditions and compatibility with diverse functional groups make it a practical reagent for medicinal chemistry and materials science applications.

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-P280-P302+P352

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Computational Chemistry Data

  • TPSA   78.87
  • LogP   1.4186
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   1

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