1,4-Bis(pyridin-4-ylethynyl)benzene

Name: 1,4-Bis(pyridin-4-ylethynyl)benzene
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CAS No. 158525-01-0
Cat. No. CS-0110401
Purity≥98%
MDL No.None

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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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1,4-Bis(pyridin-4-ylethynyl)benzene|CS-0110401

Structure of 158525-01-0

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General Information

CAS No. 158525-01-0
Cat. No. CS-0110401
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₀H₁₂N₂
Molecular Weight 280.33
Synonym(s) None
SMILES C(#CC1=CC=C(C#CC=2C=CN=CC2)C=C1)C=3C=CN=CC3

Description

1,4-Bis(pyridin-4-ylethynyl)benzene features a rigid, linear architecture with two pyridine units linked via ethynyl spacers, enabling strong π-conjugation and directional coordination. This structure supports applications in molecular electronics and metal-organic framework design, offering robust charge transport pathways and predictable supramolecular assembly.

Application

1,4-Bis(pyridin-4-ylethynyl)benzene serves as a versatile ligand scaffold in transition metal catalysis, enabling efficient coordination to palladium and copper centers. Its rigid, conjugated structure facilitates π-stacking interactions and enhances complex stability in cross-coupling reactions. The molecule exhibits excellent bench stability and compatibility with standard purification methods, making it well-suited for iterative synthesis and catalyst development in industrial R&D workflows.

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 : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362

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Computational Chemistry Data

TPSA 25.78
LogP 3.2762
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

Key Words

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1,4-Bis(pyridin-4-ylethynyl)benzene

CAS No. 158525-01-0

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