Description

3-(Trifluoromethoxy)Benzoylacetonitrile is a versatile fluorinated organic intermediate with a unique trifluoromethoxy-substituted aromatic structure. This compound is valued for its role in introducing the trifluoromethoxy pharmacophore, which can enhance the metabolic stability, lipophilicity, and bioavailability of target molecules. It is primarily sought after by research chemists and process development scientists in the pharmaceutical and agrochemical industries for the synthesis of novel active ingredients and advanced materials.

Application

• Pharmaceutical Intermediate: A key building block for the synthesis of active pharmaceutical ingredients (APIs), particularly those targeting central nervous system (CNS) disorders, inflammation, and oncology.
• Agrochemical Synthesis: Used in the development of novel herbicides, fungicides, and insecticides, where the trifluoromethoxy group can improve pesticidal activity and environmental profile.
• Ligand and Catalyst Development: Serves as a precursor for creating specialized ligands and catalysts used in asymmetric synthesis and cross-coupling reactions.
• Material Science Research: Employed in the development of advanced organic electronic materials, such as OLEDs and semiconductors, due to its electron-withdrawing properties.
• Fluorine Chemistry Research: An important reagent for academic and industrial research focused on incorporating fluorine and trifluoromethoxy groups into complex molecular architectures.
• Custom Synthesis and Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for the production of bespoke compounds for client projects.

Basic Information

Product Name	3-(Trifluoromethoxy)Benzoylacetonitrile
CAS No.	677713-02-9
Molecular Formula	C10H6F3NO2
Molecular Weight	229.16 g/mol
Synonyms	3-(Trifluoromethoxy)benzoylacetonitrile; 1-[3-(Trifluoromethoxy)phenyl]-1,3-butanedione nitrile; 4-Oxo-4-[3-(trifluoromethoxy)phenyl]butanenitrile; 3-(Trifluoromethoxy)benzoyl methyl cyanide; 3'-(Trifluoromethoxy)benzoylacetonitrile; 3-(Trifluoromethoxy)benzeneacetylacetonitrile; α-Acetyl-3-(trifluoromethoxy)benzeneacetonitrile
EINECS	Contact for details

Quality Control

Our 3-(Trifluoromethoxy)Benzoylacetonitrile is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and IR spectroscopy, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all relevant specifications. Our quality commitment supports applications requiring high-purity intermediates for research and development.

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). This product is hygroscopic (moisture-sensitive) and should be handled under dry conditions 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
Purity (HPLC)	≥ 98.0%
Melting Point	Contact for details
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm

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