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CS-W001157 4
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3-(1H-Imidazol-1-yl)benzoic acid

  • CAS No. 108035-47-8

  • Cat. No. CS-0110790
  • Purity≥98%
  • MDL No.MFCD06659077

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

3-(1H-Imidazol-1-yl)benzoic acid|CS-0110790

Structure of 108035-47-8

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General Information

  • CAS No. 108035-47-8
  • Cat. No. CS-0110790
  • Purity ≥98%
  • MDL No. MFCD06659077
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈N₂O₂
  • Molecular Weight 188.19
  • Synonym(s) 3-(1-Imidazolyl)benzoic Acid
  • SMILES O=C(O)C1=CC=CC(=C1)N2C=NC=C2

Description

3-(1H-Imidazol-1-yl)benzoic acid integrates a polar imidazole ring with a carboxylic acid-functionalized aromatic system, enabling robust hydrogen bonding and coordination in supramolecular assemblies. This scaffold supports metal-ligand interactions and enhances solubility in protic solvents, facilitating use in medicinal chemistry and catalyst design.

Application

3-(1H-Imidazol-1-yl)benzoic acid serves as a versatile building block for medicinal chemistry and materials science, enabling the construction of bioactive heterocycles and functionalized aromatic systems. Its dual functionality—carboxylic acid and imidazole moieties—supports diverse coupling reactions, metal coordination, and hydrogen bonding interactions. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis workflows in API development and catalyst design.

Synthesis

  • Route1
    • null|null
      129746-46-9
    • ~64%
    • In-stock
      3-(1H-Imidazol-1-yl)benzoic acid|CS-0110790
      108035-47-8

    References

    • New Journal of Chemistry, , vol. 34, # 11 p. 2502 - 2514

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H319
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   55.12
  • LogP   1.5705
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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