Description

4-Cyano-4-(3-Fluorophenyl)Cyclohexanone is a high-value, fluorinated organic building block characterized by its cyclohexanone core functionalized with cyano and fluorophenyl groups. This compound matters for its role as a critical synthetic intermediate in the development of advanced pharmaceutical compounds and agrochemicals. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and specialty chemical industries for constructing complex molecular architectures.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of novel active pharmaceutical ingredients (APIs), particularly for central nervous system (CNS) and metabolic disorder targets.
• Agrochemical Synthesis: Used in the research and production of advanced herbicides and fungicides, leveraging the fluorine atom for enhanced biological activity and environmental stability.
• Ligand and Catalyst Development: Serves as a starting material for creating specialized ligands and organocatalysts used in asymmetric synthesis.
• Material Science Research: Employed in the development of specialty polymers and advanced organic electronic materials due to its unique electronic properties.
• Chemical Biology Probes: Utilized in the design and synthesis of molecular probes for studying enzyme mechanisms and biological pathways.

Basic Information

Product Name	4-Cyano-4-(3-Fluorophenyl)Cyclohexanone
CAS No.	577036-07-8
Molecular Formula	C13H12FNO
Molecular Weight	217.24 g/mol
Synonyms	4-(3-Fluorophenyl)-4-cyanocyclohexanone; 4-Cyano-4-(3-fluorophenyl)cyclohexan-1-one; 3-Fluorophenyl-4-cyanocyclohexanone; 4-(3-Fluorophenyl)-4-oxocyclohexanecarbonitrile; 1-(3-Fluorophenyl)-4-cyanocyclohexan-1-ol (tautomer reference); 4-Cyano-4-(m-fluorophenyl)cyclohexanone; Cyclohexanone, 4-cyano-4-(3-fluorophenyl)-
EINECS	Contact for details

Quality Control

Our 4-Cyano-4-(3-Fluorophenyl)Cyclohexanone is manufactured under a strict quality management system. Each batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all specified parameters. Our quality commitment aligns with cGMP principles for pharmaceutical intermediates, ensuring reliability for your critical synthesis workflows.

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). The compound may be hygroscopic; keep the container tightly sealed in a dry environment to prevent moisture uptake. Keep away from strong oxidizing agents.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Water Content (KF)	≤ 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.