Description

Cyclohexanecarbonitrile, 4,4-Difluoro-1-Phenyl- is a high-value, fluorinated synthetic intermediate with a unique structural motif. Its core value lies in its role as a versatile building block for introducing the 4,4-difluorocyclohexyl moiety into complex molecules, which is critical for modulating physicochemical and metabolic properties. This compound is essential for research and development chemists in the pharmaceutical and agrochemical industries, where it is used to create novel active ingredients with enhanced potency and stability.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of active pharmaceutical ingredients (APIs), particularly for candidates targeting central nervous system (CNS) disorders, metabolic diseases, and oncology.
• Agrochemical Research: Used to develop new generations of herbicides, fungicides, and insecticides, where the difluorocyclohexyl group can improve lipophilicity and biological activity.
• Material Science: Serves as a monomer or additive in the development of advanced polymers and liquid crystals with specific optical or thermal properties.
• Organic Synthesis & Medicinal Chemistry: A valuable scaffold for constructing compound libraries in drug discovery programs for structure-activity relationship (SAR) studies.
• Fluorine Chemistry: Acts as a model compound for studying the effects of geminal difluoro substitution on cyclohexane ring conformation and reactivity.

Basic Information

Product Name	Cyclohexanecarbonitrile, 4,4-Difluoro-1-Phenyl-
CAS No.	1246744-42-2
Molecular Formula	C13H13F2N
Molecular Weight	221.25 g/mol
Synonyms	4,4-Difluoro-1-phenylcyclohexanecarbonitrile; 1-Phenyl-4,4-difluorocyclohexanecarbonitrile; 4,4-Difluoro-α-phenylcyclohexaneacetonitrile; (4,4-Difluorocyclohexyl)(phenyl)acetonitrile; 4,4-Difluoro-1-phenyl-cyclohexanecarbonitrile; 4,4-Difluoro-1-phenyl-cyclohexanecarbonitrile; 4,4-Difluoro-1-phenylcyclohexane-1-carbonitrile
EINECS	Contact for details

Quality Control

Our Cyclohexanecarbonitrile, 4,4-Difluoro-1-Phenyl- is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and MS, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all critical specifications. Our quality commitment supports compliance with cGMP and ICH guidelines for use in regulated research and 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 (15-25°C). Keep away from incompatible materials such as strong bases and fluorides. The container should be kept tightly sealed in a dry environment to minimize exposure to moisture.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 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.