Description

4-Cyano-4-(2-Fluorophenyl)Cyclohexanone is a high-value, functionalized cyclohexanone derivative featuring both cyano and fluorophenyl substituents, making it a versatile and critical building block in advanced organic synthesis. Its unique structure provides a rigid, substituted cyclohexane scaffold that is essential for constructing complex molecular architectures with specific steric and electronic properties. This compound is primarily utilized by research chemists and process development scientists in the pharmaceutical and agrochemical industries for the development of novel active ingredients and fine chemicals.

Application

• Pharmaceutical Intermediate: Serves as a key precursor in the synthesis of novel drug candidates, particularly those targeting central nervous system (CNS) disorders, due to the fluorine atom's role in modulating bioavailability and metabolic stability.
• Agrochemical Synthesis: Used in the research and development of new-generation herbicides, fungicides, and insecticides, where the fluorophenyl moiety can enhance biological activity and environmental persistence.
• Ligand and Catalyst Development: Acts as a starting material for creating specialized chiral ligands or organocatalysts used in asymmetric synthesis.
• Material Science Research: Employed in the development of advanced organic materials, such as liquid crystals or polymers, where the combination of rigidity and polarity is advantageous.
• Custom Synthesis and Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for use in custom synthesis projects and scale-up processes for client-specific molecules.

Basic Information

Product Name	4-Cyano-4-(2-Fluorophenyl)Cyclohexanone
CAS No.	179064-61-0
Molecular Formula	C13H12FNO
Molecular Weight	217.24 g/mol
Synonyms	4-(2-Fluorophenyl)-4-cyanocyclohexanone; 4-Cyano-4-(2-fluorophenyl)cyclohexan-1-one; 2-Fluoro-α,α'-dicyclohexylidene-4-cyanobenzeneacetonitrile (related); 4-(2-Fluorobenzylidene)-4-cyanocyclohexanone; 179064-61-0; 4-Cyano-4-(o-fluorophenyl)cyclohexanone
EINECS	Contact for details

Quality Control

Every batch of 4-Cyano-4-(2-Fluorophenyl)Cyclohexanone is manufactured and analyzed under a strict quality management system. We provide comprehensive analytical data to ensure the material meets the high-purity standards required for research and process chemistry. A detailed Certificate of Analysis (COA) is supplied with each shipment, documenting key parameters such as identity, purity (by HPLC), and impurity profile. Our quality protocols are designed to support cGMP and ISO guidelines for advanced intermediates.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). Due to its hygroscopic nature, the container must be kept tightly sealed after opening to prevent moisture absorption, which could affect purity and stability. Keep away from incompatible materials.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Melting Point	Contact for details
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%
Single Unknown Impurity (HPLC)	≤ 0.5%
Total Impurities (HPLC)	≤ 2.0%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.