Description

1,1-Difluoro-4-isocyanocyclohexane is a versatile and highly reactive bifunctional building block, combining a reactive isocyanate group with a fluorinated cyclohexane core. This compound is critical for introducing both fluorinated motifs and isocyanate-derived functional groups into advanced molecular architectures. It is primarily utilized by researchers and process chemists in the pharmaceutical, agrochemical, and advanced materials sectors for applications such as medicinal chemistry, polymer modification, and the synthesis of specialty chemicals.

Application

• Pharmaceutical Intermediate: Serves as a key synthon in the development of novel active pharmaceutical ingredients (APIs), particularly for introducing fluorinated groups to modulate bioavailability and metabolic stability.
• Agrochemical Synthesis: Used in the research and production of advanced pesticides and herbicides, where the fluorinated cyclohexyl moiety can enhance biological activity and environmental persistence.
• Polymer & Material Science: Acts as a monomer or cross-linking agent for synthesizing specialty polyurethanes, coatings, and fluorinated polymers with unique surface properties and chemical resistance.
• Ligand & Catalyst Development: Employed in the creation of novel fluorinated ligands for catalysis and molecular recognition applications.
• Chemical Biology Probes: Useful for synthesizing fluorinated probes and tags for studying biological systems and diagnostic applications.
• Custom Synthesis & Contract Manufacturing: A valuable starting material for custom synthesis projects requiring precise incorporation of difluorocyclohexyl and isocyanate functionalities.

Basic Information

Product Name	1,1-Difluoro-4-isocyanocyclohexane
CAS No.	1000698-98-5
Molecular Formula	C7H9F2NO
Molecular Weight	161.15 g/mol
Synonyms	4-Isocyanato-1,1-difluorocyclohexane; 1,1-Difluorocyclohexane-4-isocyanate; 1,1-Difluoro-4-isocyanatocyclohexane; 4-Isocyanato-1,1-difluorocyclohexane; Cyclohexane, 1,1-difluoro-4-isocyanato-; Difluorocyclohexyl isocyanate
EINECS	Contact for details

Quality Control

Our 1,1-Difluoro-4-isocyanocyclohexane is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including chromatography (HPLC, GC) and spectroscopic methods (NMR, IR), to ensure identity, purity, and consistency. Certificates of Analysis (COA) documenting all critical quality attributes are available upon request. We support development and commercial projects requiring material that meets stringent internal specifications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at room temperature (15-25°C). Due to its high volatility and moisture-sensitive (isocyanate) nature, containers must be kept tightly sealed under a dry inert atmosphere (e.g., nitrogen or argon) after opening. Keep away from heat, sparks, open flames, and incompatible materials such as alcohols, amines, and strong bases.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms
Purity (GC/HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.1%

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