Description

2-Fluoro-4-(4-oxocyclohexyl)benzonitrile is a high-purity, advanced pharmaceutical intermediate featuring a unique molecular scaffold that combines a fluorinated aromatic nitrile with a cyclohexanone moiety. This compound matters for its critical role in the synthesis of novel active pharmaceutical ingredients (APIs), particularly in medicinal chemistry programs targeting central nervous system (CNS) disorders and metabolic diseases. Pharmaceutical R&D teams and fine chemical manufacturers need this precise building block to develop next-generation therapeutics with improved efficacy and pharmacokinetic profiles.

Application

• Pharmaceutical Intermediate: A key synthon in the research and development of novel drug candidates, especially for CNS-targeted therapies.
• Medicinal Chemistry: Used in structure-activity relationship (SAR) studies and lead optimization due to its fluorinated aromatic and ketone functional groups.
• Agrochemical Synthesis: Serves as a precursor in the development of advanced herbicides and pesticides with selective activity.
• Liquid Crystal & OLED Materials: A potential building block for electronic chemicals used in display technologies, leveraging its rigid, polar structure.
• Academic & Industrial Research: Employed in chemical libraries for high-throughput screening and the discovery of new bioactive molecules.
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for scale-up and GMP production.

Basic Information

Item	Details
Product Name	2-Fluoro-4-(4-oxocyclohexyl)benzonitrile
CAS No.	105942-05-0
Molecular Formula	C₁₃H₁₂FNO
Molecular Weight	217.24 g/mol
Synonyms	4-(2-Fluoro-4-cyanophenyl)cyclohexanone; 4-(4-Cyano-3-fluorophenyl)cyclohexanone; 2-Fluoro-4-(4-oxocyclohexyl)benzonitrile; 1-(2-Fluoro-4-cyanophenyl)-4-oxocyclohexane; 105942-05-0; 4-(4-Oxocyclohexyl)-2-fluorobenzonitrile
EINECS	Contact for details

Quality Control

Our 2-Fluoro-4-(4-oxocyclohexyl)benzonitrile is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure high chemical purity and identity confirmation. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all specified parameters. Our quality commitment aligns with cGMP principles where applicable, supporting its use in regulated pharmaceutical development.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). This material is light-sensitive (store away from light). Keep away from heat, sparks, and open flame.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Melting Point	Contact for details
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm

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