4-(4-Oxocyclohexyl)benzonitrile

Name: 4-(4-Oxocyclohexyl)benzonitrile
Brand: ChemScene
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CAS No. 73204-07-6
Cat. No. CS-0042840
Purity≥97%
MDL No.MFCD06410874

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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4-(4-Oxocyclohexyl)benzonitrile|CS-0042840

Structure of 73204-07-6

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Description

4-(4-Oxocyclohexyl)benzonitrile features a conjugated aryl nitrile linked to a cyclohexanone-bearing side chain, enabling integration into diverse synthetic scaffolds. The ketone moiety offers a reactive handle for nucleophilic transformations, while the nitrile group provides polarity and potential for downstream functionalization. This compound serves as a valuable building block in medicinal chemistry and materials development.

Application

4-(4-Oxocyclohexyl)benzonitrile serves as a versatile building block in medicinal chemistry, enabling the construction of complex heterocyclic scaffolds through standard functional group transformations. The nitrile group facilitates nucleophilic addition and cyclization reactions, while the ketone function supports enolate formation and aldol-type condensations. Its stability under routine bench conditions and compatibility with common reaction protocols make it well-suited for multi-step synthesis workflows.

General Information

CAS No. 73204-07-6
Cat. No. CS-0042840
Purity ≥97%
MDL No. MFCD06410874
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₁₃NO
Molecular Weight 199.25
Synonym(s) 4-(4-Oxocyclohexyl)-benzonitrile
SMILES N#CC1=CC=C(C2CCC(CC2)=O)C=C1

Computational Chemistry Data

TPSA 40.86
LogP 2.78498
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-(4-Oxocyclohexyl)benzonitrile

CAS No. 73204-07-6

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