Description

4,4-Difluoro-3-Oxobutanenitrile is a versatile fluorinated building block with significant synthetic utility. Its unique structure, featuring both a nitrile and a difluoromethyl ketone moiety, makes it a valuable precursor for constructing complex molecules, particularly in the development of pharmaceuticals and agrochemicals. This compound is essential for researchers and process chemists in fine chemical synthesis, medicinal chemistry, and material science who require high-purity intermediates for advanced R&D and scale-up projects.

Application

• Pharmaceutical Intermediate: Key synthon for the synthesis of fluorinated heterocycles and active pharmaceutical ingredients (APIs), leveraging the difluoroacetyl group for bioisosteric replacement.
• Agrochemical Synthesis: Used in the production of novel herbicides and pesticides where the introduction of fluorine atoms enhances metabolic stability and biological activity.
• Material Science Research: Serves as a monomer or precursor for specialty polymers and advanced materials with tailored properties.
• Fluorine Chemistry: A fundamental reagent for exploring new fluorination methodologies and creating fluorine-containing compound libraries.
• Ligand and Catalyst Development: Employed in the design and synthesis of novel chelating ligands and organocatalysts.
• Custom Synthesis & Contract Manufacturing: A critical starting material for custom synthesis projects requiring specific fluorinated architectures.

Basic Information

Product Name	4,4-Difluoro-3-Oxobutanenitrile
CAS No.	1261289-79-5
Molecular Formula	C4H3F2NO
Molecular Weight	119.07 g/mol
Synonyms	4,4-Difluoroacetoacetonitrile; 4,4-Difluoro-3-oxobutyronitrile; 4,4-Difluoro-3-oxobutane nitrile; 1-Cyano-3,3-difluoroacetone; 3,3-Difluoro-4-oxopentanenitrile (incorrect but common); DFAN (abbreviation); 4,4-Difluoro-3-oxo-butanenitrile
EINECS	Contact for details

Quality Control

We maintain stringent quality control protocols for 4,4-Difluoro-3-Oxobutanenitrile to ensure batch-to-batch consistency and high purity suitable for demanding synthetic applications. Our standard grade typically meets a purity specification of ≥97% (by HPLC), with comprehensive testing for identity and key impurities. A Certificate of Analysis (COA) detailing specific results for each batch is provided and available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%

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