Description

4,4,4-Trifluoro-3-oxobutanenitrile is a versatile fluorinated building block and a key synthon in advanced organic synthesis. Its unique structure, featuring both a reactive nitrile and a trifluoromethyl ketone moiety, makes it invaluable for introducing the trifluoromethyl group into complex molecules, a critical modification in modern pharmaceutical and agrochemical design. This high-purity intermediate is essential for researchers and manufacturers in the pharmaceutical, agrochemical, and specialty chemical industries seeking to develop novel compounds with enhanced metabolic stability, bioavailability, and lipophilicity.

Application

• Pharmaceutical Intermediate: A critical building block for the synthesis of active pharmaceutical ingredients (APIs), particularly those containing trifluoromethyl groups to improve drug-like properties.
• Agrochemical Synthesis: Used in the development of advanced herbicides, fungicides, and insecticides where the CF3 group enhances biological activity and environmental stability.
• Material Science Precursor: Serves as a monomer or precursor for fluorinated polymers and advanced materials with unique surface properties and chemical resistance.
• Ligand and Catalyst Development: Employed in the creation of novel fluorinated ligands for asymmetric catalysis and metal-organic frameworks (MOFs).
• Fluorine Chemistry Research: A fundamental reagent in academic and industrial R&D for exploring new fluorination methodologies and reaction pathways.
• Liquid Crystal and Electronic Chemical Synthesis: Used in the production of fluorinated components for display technologies and electronic materials.

Basic Information

Product Name	4,4,4-Trifluoro-3-oxobutanenitrile
CAS No.	110234-68-9
Molecular Formula	C4H2F3NO
Molecular Weight	137.06 g/mol
Synonyms	4,4,4-Trifluoroacetoacetonitrile; 4,4,4-Trifluoro-3-oxobutyronitrile; 3-Oxo-4,4,4-trifluorobutanenitrile; 1,1,1-Trifluoro-2-cyano-2-propanone; 2-Cyano-1,1,1-trifluoroacetone; Trifluoroacetonitrile acetone; TFAN; 4,4,4-Trifluoro-3-oxo-butanenitrile
EINECS	Contact for details

Quality Control

Our 4,4,4-Trifluoro-3-oxobutanenitrile is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and FTIR, to ensure high chemical purity and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all specification parameters. Our quality commitment ensures the material meets the stringent requirements for research and cGMP manufacturing applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at a controlled room temperature (15-25°C). Keep away from incompatible materials such as strong bases and fluorides. Due to its reactive functional groups, it is recommended to store under an inert atmosphere for long-term stability and to minimize moisture uptake.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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