4-Phenoxybenzonitrile

CAS No. 3096-81-9
Cat. No. CS-0039303
Purity≥98%
MDL No.MFCD00017346

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

4-Phenoxybenzonitrile features a phenoxy-substituted aromatic ring linked to a nitrile group, delivering enhanced solubility and thermal stability. This structural motif enables efficient integration into pharmaceutical intermediates and functional materials, particularly in ligand design and polymer synthesis where electron-withdrawing character is critical.

Application

4-Phenoxybenzonitrile serves as a versatile building block in medicinal chemistry and materials science, enabling efficient construction of bioactive heterocycles and functionalized aromatic systems. Its dual phenoxy and nitrile functionalities offer orthogonal reactivity for downstream transformations, including nucleophilic additions and coupling reactions. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for scale-up and high-throughput synthesis workflows.

General Information

CAS No. 3096-81-9
Cat. No. CS-0039303
Purity ≥98%
MDL No. MFCD00017346
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₉NO
Molecular Weight 195.22
Synonym(s) 4-Cyanodiphenyl Ether
SMILES N#CC1=CC=C(OC2=CC=CC=C2)C=C1

Computational Chemistry Data

TPSA 33.02
LogP 3.35058
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 2

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+H312+H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

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Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-Phenoxybenzonitrile

CAS No. 3096-81-9

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