4-Cyanocyclohexanone

Name: 4-Cyanocyclohexanone
Brand: ChemScene
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CAS No. 34916-10-4
Cat. No. CS-D0281
Purity≥97%
MDL No.MFCD11847831

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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 34916-10-4

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General Information

CAS No. 34916-10-4
Cat. No. CS-D0281
Purity ≥97%
MDL No. MFCD11847831
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₉NO
Molecular Weight 123.15
Synonym(s) 4-Oxo-cyclohexanecarbonitrile
SMILES N#CC1CCC(CC1)=O

Description

4-Cyanocyclohexanone features a conjugated nitrile group positioned para to a ketone on a cyclohexanone ring, enabling dual reactivity in synthetic transformations. This electron-deficient scaffold integrates readily into heterocyclic systems and serves as a key intermediate in the synthesis of nitrogen-containing pharmaceuticals and bioactive molecules under standard conditions.

Application

4-Cyanocyclohexanone serves as a versatile building block in synthetic organic chemistry, enabling efficient access to nitrogen-containing heterocycles and functionalized cyclohexane scaffolds. Its conjugated enone system facilitates Michael additions, nucleophilic cyclizations, and transition-metal-catalyzed transformations. The nitrile group provides orthogonal reactivity for hydrolysis, reduction, or cyclization, supporting downstream derivatization in medicinal chemistry and process development. Bench-stable and readily purified by distillation or crystallization, it functions reliably in multi-step syntheses.

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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Computational Chemistry Data

TPSA 40.86
LogP 1.26928
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Ketone

Building Blocks Skeleton Fatty ring compounds Cyclohexane compounds

Key Words

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4-Cyanocyclohexanone

CAS No. 34916-10-4

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