Description

3,4,5-Trifluorobenzoylacetonitrile is a high-purity fluorinated organic building block of significant interest in advanced chemical synthesis. This compound matters for its role as a versatile precursor in the development of complex molecules, particularly within the pharmaceutical and agrochemical sectors. Industries requiring the synthesis of novel active ingredients, such as medicinal chemistry research and fine chemical manufacturing, are the primary users of this material.

Application

• Pharmaceutical Intermediate: A key synthon for the development of novel drug candidates, particularly in kinase inhibitor and CNS-active molecule research.
• Agrochemical Synthesis: Used in the production of advanced herbicides and pesticides where the trifluoromethylphenyl moiety imparts desirable biological activity and metabolic stability.
• Ligand and Catalyst Development: Serves as a precursor for creating specialized ligands used in asymmetric catalysis and metal-organic frameworks (MOFs).
• Material Science Research: Employed in the synthesis of fluorinated polymers and liquid crystals for electronic and optical applications.
• Chemical Biology Probes: Utilized to create tagged molecules for studying biological pathways and protein interactions.
• Custom Synthesis and R&D: A critical starting material for contract research organizations (CROs) and fine chemical companies engaged in custom synthesis projects.

Basic Information

Product Name	3,4,5-Trifluorobenzoylacetonitrile
CAS No.	842140-50-5
Molecular Formula	C10H5F3NO
Molecular Weight	212.15 g/mol
Synonyms	3,4,5-Trifluorobenzoylacetonitrile; 4,4,4-Trifluoro-1-(3,4,5-trifluorophenyl)butane-1,3-dione (tautomer); 1-(3,4,5-Trifluorophenyl)-1,3-butanedione; 3,4,5-Trifluorobenzoyl methyl ketone; TFBA; 842140-50-5; 3,4,5-Trifluoro-β-oxobenzenepropanenitrile
EINECS	Contact for details

Quality Control

Our 3,4,5-Trifluorobenzoylacetonitrile is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure identity, purity, and consistency. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with every shipment. We support compliance with REACH and other global regulatory frameworks as required.

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 nature, the container must be kept tightly sealed to exclude moisture. Keep away from incompatible materials such as strong oxidizing agents, strong bases, and strong acids.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Melting Point	Contact for details
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.