4,4'-Oxalyldibenzonitrile

Name: 4,4'-Oxalyldibenzonitrile
Brand: ChemScene
Availability: InStock
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CAS No. 92967-67-4
Cat. No. CS-0458656
Purity≥97%
MDL No.MFCD32632581

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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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Structure of 92967-67-4

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Description

4,4'-Oxalyldibenzonitrile features a rigid, linear architecture with two nitrile groups flanking a central oxalate linker, enabling strong dipole alignment in organic semiconductors. This configuration enhances charge transport properties while maintaining thermal stability under standard processing conditions.

Application

4,4'-Oxalyldibenzonitrile serves as a versatile bifunctional building block in synthetic organic chemistry, enabling the construction of rigid, electron-deficient scaffolds through standard coupling reactions. Its orthogonal functionality—two nitrile groups flanking a central oxalate linker—facilitates high-yielding transformations with nucleophiles and metals, offering excellent bench stability and ease of purification. Widely employed in the synthesis of conjugated polymers, ligands, and heterocyclic frameworks, it functions reliably in both solution-phase and solid-phase workflows.

General Information

CAS No. 92967-67-4
Cat. No. CS-0458656
Purity ≥97%
MDL No. MFCD32632581
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₆H₈N₂O₂
Molecular Weight 260.25
Synonym(s) 4,4'-Dicyanobenzil
SMILES O=C(C1=CC=C(C=C1)C#N)C(C2=CC=C(C=C2)C#N)=O

Computational Chemistry Data

TPSA 81.72
LogP 2.49556
H_Acceptors 4
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 : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

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Other Classifications

Building Blocks Functional Group Ketone

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4,4'-Oxalyldibenzonitrile

CAS No. 92967-67-4

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