Description

4-(4,4,4-Trifluoro-3-Oxobutanoyl)Benzonitrile is a high-purity, advanced pharmaceutical intermediate featuring a benzonitrile core substituted with a trifluoromethyl ketone moiety. This compound is valued for its role as a critical building block in the synthesis of complex molecules, particularly in medicinal chemistry where the introduction of fluorine atoms can dramatically alter a compound's metabolic stability, lipophilicity, and binding affinity. It is primarily sought after by research institutions and manufacturers in the pharmaceutical and agrochemical sectors for the development of new active ingredients.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of novel drug candidates, especially those targeting central nervous system (CNS) disorders, oncology, and metabolic diseases.
• Agrochemical Research: Used in the development of new herbicides, fungicides, and insecticides where the trifluoromethyl group enhances biological activity and environmental persistence.
• Material Science: Serves as a monomer or cross-linking agent in the production of specialty polymers with unique optical or electronic properties.
• Ligand Synthesis: Employed in the creation of complex ligands for catalysis and metal-organic frameworks (MOFs).
• Fluorine Chemistry: An essential reagent for introducing the CF3-CO- pharmacophore into target molecules during exploratory synthetic chemistry.

Basic Information

Product Name	4-(4,4,4-Trifluoro-3-Oxobutanoyl)Benzonitrile
CAS No.	179184-61-3
Molecular Formula	C11H6F3NO2
Molecular Weight	241.17 g/mol
Synonyms	4-(4,4,4-Trifluoro-3-oxobutyryl)benzonitrile; 4'-(4,4,4-Trifluoroacetoacetyl)benzonitrile; 1-(4-Cyanophenyl)-4,4,4-trifluorobutane-1,3-dione; 4-(4,4,4-Trifluoro-3-oxobutanoyl)benzonitrile; 4-(4,4,4-Trifluoroacetoacetyl)benzonitrile; 4-Cyanophenyl 4,4,4-trifluoroacetoacetate (common name variant); TFB (abbreviation)
EINECS	Contact for details

Quality Control

Our 4-(4,4,4-Trifluoro-3-Oxobutanoyl)Benzonitrile is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, NMR, and GC-MS, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all critical parameters. Our production adheres to cGMP guidelines where applicable, ensuring reliability for your most demanding research and scale-up projects.

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). This material is hygroscopic (moisture-sensitive); keep the container tightly sealed in a dry environment to prevent degradation. Keep away from incompatible materials such as strong bases and reducing 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.