1,3,5-Tris(pyrazol-4-yl)benzene

Name: 1,3,5-Tris(pyrazol-4-yl)benzene
Brand: ChemScene
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CAS No. 1325728-09-3
Cat. No. CS-0170501
Purity≥98%
MDL No.MFCD30741245

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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-Tris(pyrazol-4-yl)benzene|CS-0170501

Structure of 1325728-09-3

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General Information

CAS No. 1325728-09-3
Cat. No. CS-0170501
Purity ≥98%
MDL No. MFCD30741245
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₅H₁₂N₆
Molecular Weight 276.30
Synonym(s) 4,4',4''-(1,3,5-Benzenetriyl) tris-1h-pyrazole
SMILES N1=CC(=CN1)C2=CC(=CC(=C2)C=3C=NNC3)C=4C=NNC4

Description

1,3,5-Tris(pyrazol-4-yl)benzene features a rigid, symmetric triaryl scaffold with three pyrazol-4-yl groups positioned at the 1,3,5-tertial sites. This arrangement delivers high electron density and enhanced π-conjugation, enabling robust coordination in metal-ligand frameworks. The molecule exhibits excellent thermal stability and facilitates modular assembly in supramolecular architectures.

Application

1,3,5-Tris(pyrazol-4-yl)benzene serves as a versatile tripyridyl-like ligand scaffold with high thermal and oxidative stability. Its three pyrazol-4-yl groups enable robust coordination to transition metals, facilitating the construction of polynuclear complexes for catalysis and materials science. The molecule exhibits excellent functional group tolerance and is readily purified by recrystallization, making it ideal for reproducible bench-scale synthesis of coordination networks and metal-organic frameworks.

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 86.04
LogP 2.8569
H_Acceptors 3
H_Donors 3
Rotatable_Bonds 3

Key Words

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1,3,5-Tris(pyrazol-4-yl)benzene

CAS No. 1325728-09-3

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