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

Name: 1,3,5-tri(1H-Imidazol-1-yl)benzene
Brand: ChemScene
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CAS No. 528543-96-6
Cat. No. CS-0078541
Purity≥96%
MDL No.MFCD23103303

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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

Structure of 528543-96-6

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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.

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

Computational Chemistry Data

TPSA 53.46
LogP 2.2437
H_Acceptors 6
H_Donors 0
Rotatable_Bonds 3

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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Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Material Science Metal Organic Frameworks Nitrogen MOFs Linkers

Material Science Organic-Inorganic Hybrid Materials Metal Organic Frameworks (MOF) Raw Materials Organic Linker Molecules

Material Science Polymer/Macromolecule Reagents Metal Organic Frameworks (MOF) Raw Materials Organic Linker Molecules

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

CAS No. 528543-96-6

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