Lot numbers can be found on the outside label of a product:
4-(4-Oxocyclohexyl)benzonitrile
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CAS No. 73204-07-6
- Cat. No. CS-0042840
- Purity≥97%
- MDL No.MFCD06410874
*For research and further manufacturing use only, not for direct human use.
Structure of 73204-07-6
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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
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.
Synthesis
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Route1
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149507-27-7 -
In-stock
24057-28-1 - ~%
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In-stock
73204-07-6
References
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US5541343 A1, ;
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Route2
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In-stock
4894-75-1 - ~%
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In-stock
73204-07-6
References
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US2012/40942 A1, ;
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Route3
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73204-06-5 - ~16%
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In-stock
73204-07-6
References
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RESPIRATORIUS AB Patent: US2012/40942 A1, 2012 ; Location in patent: Page/Page column 59-60 ;
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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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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Quality Control
Computational Chemistry Data
- TPSA 40.86
- LogP 2.78498
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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