Description

4,4,4-Trifluoro-2-(3-Fluoro-Phenyl)-3-Oxo-Butyronitrile is a high-value fluorinated organic intermediate characterized by its unique trifluoromethyl and oxo-nitrile functional groups. This compound matters for its role as a critical building block in the synthesis of complex molecules, particularly in advanced pharmaceutical and agrochemical research. It is primarily needed by R&D chemists and process development scientists working on novel active ingredients, where its specific fluorine substitution pattern enables fine-tuning of biological activity and metabolic stability.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of novel drug candidates, especially those targeting central nervous system (CNS) disorders, anti-inflammatory agents, and enzyme inhibitors.
• Agrochemical Synthesis: Used in the development of next-generation herbicides, fungicides, and insecticides, where the fluorine atoms enhance lipophilicity and environmental stability.
• Material Science Research: Serves as a monomer or functionalization agent in the development of specialty polymers and advanced materials with specific optical or electronic properties.
• Ligand and Catalyst Development: Employed in organometallic chemistry for creating novel chiral ligands and catalysts used in asymmetric synthesis.
• Fluorine Chemistry Studies: A valuable substrate for investigating new fluorination methodologies and studying the effects of polyfluorination on molecular conformation and reactivity.

Basic Information

Product Name	4,4,4-Trifluoro-2-(3-Fluoro-Phenyl)-3-Oxo-Butyronitrile
CAS No.	954238-37-0
Molecular Formula	C10H5F4NO
Molecular Weight	231.15 g/mol
Synonyms	3-Oxo-4,4,4-trifluoro-2-(3-fluorophenyl)butyronitrile; 2-(3-Fluorophenyl)-4,4,4-trifluoro-3-oxobutyronitrile; 4,4,4-Trifluoro-3-oxo-2-(3-fluorophenyl)butanenitrile; (3-Fluorophenyl)(trifluoroacetyl)acetonitrile; α-(3-Fluorobenzoyl)-α-trifluoromethylacetonitrile; TFPOBN (abbrev.); Contact for additional synonyms.
EINECS	Contact for details

Quality Control

Our 4,4,4-Trifluoro-2-(3-Fluoro-Phenyl)-3-Oxo-Butyronitrile is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing to ensure identity, purity, and consistency, meeting the stringent requirements for advanced synthetic intermediates. A comprehensive Certificate of Analysis (COA) is provided with each shipment, detailing results from HPLC, NMR, and GC-MS analysis. We support cGMP-compliant production for pharmaceutical applications upon request.

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). 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. Keep away from incompatible materials such as strong bases and oxidizing agents.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Assay (HPLC)	≥ 98.0%
Purity (GC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Single Unknown Impurity (HPLC)	≤ 0.5%

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