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CS-W001157 4
Total: USD 88.00

1,3,5-tri(1H-Imidazol-1-yl)benzene

  • CAS No. 528543-96-6

  • Cat. No. CS-0078541
  • Purity≥96%
  • MDL No.MFCD23103303

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

1,3,5-tri(1H-Imidazol-1-yl)benzene|CS-0078541

Structure of 528543-96-6

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General Information

  • CAS No. 528543-96-6
  • Cat. No. CS-0078541
  • Purity ≥96%
  • MDL No. MFCD23103303
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₂N₆
  • Molecular Weight 276.30
  • Synonym(s) 1,1',1''-Benzene-1,3,5-triyltri(1H-imidazole)
  • SMILES N=1C=CN(C1)C=2C=C(C=C(C2)N3C=NC=C3)N4C=NC=C4

Description

1,3,5-tri(1H-Imidazol-1-yl)benzene features three imidazole rings symmetrically arranged on a benzene core, delivering strong coordination capacity and structural rigidity. This triimidazole scaffold serves as a robust ligand in metal-directed assembly, enabling the construction of well-defined coordination architectures with predictable geometries. The molecule exhibits enhanced solubility in polar solvents and stability under ambient conditions, facilitating handling in synthetic and materials applications.

Application

1,3,5-tri(1H-imidazol-1-yl)benzene serves as a versatile tripyridyl-like ligand scaffold in transition metal catalysis, enabling coordination to late-transition metals through its three nitrogen-rich imidazole moieties. Its high thermal stability and solubility in common organic solvents facilitate use in homogeneous catalytic systems. The molecule functions effectively in cross-coupling reactions and metal complexation due to its rigid, symmetric architecture and strong donor character.

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   53.46
  • LogP   2.2437
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   3

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