Description

3-Oxo-3-(3-Methyl-5-Trifluoromethylphenyl)-Propionitrile is a high-value, fluorinated aromatic nitrile building block of significant interest in advanced organic synthesis. Its molecular structure, featuring both a reactive cyanoacetophenone core and a trifluoromethyl group, makes it a critical intermediate for constructing complex molecules with tailored properties. This compound is primarily sought after by research and development chemists and process scale-up teams in the pharmaceutical and agrochemical industries for the development of new active ingredients.

Application

• Pharmaceutical Intermediate: Serves as a key precursor in the synthesis of novel drug candidates, particularly those targeting central nervous system (CNS) disorders, inflammation, and metabolic diseases, where the trifluoromethyl group can enhance metabolic stability and bioavailability.
• Agrochemical Synthesis: Used in the research and production of advanced herbicides, fungicides, and insecticides, where its structural motifs contribute to efficacy and environmental profile.
• Material Science Research: Acts as a monomer or cross-linking agent in the development of specialty polymers, coatings, and liquid crystals with unique optical or electronic properties.
• Chemical Biology Probes: Utilized in the design and synthesis of molecular probes and tags for studying biological processes and target engagement.
• Custom Synthesis & Contract Manufacturing: A vital starting material for custom synthesis houses and CDMOs (Contract Development and Manufacturing Organizations) serving the global life sciences market.

Basic Information

Product Name	3-Oxo-3-(3-Methyl-5-Trifluoromethylphenyl)-Propionitrile
CAS No.	267880-84-2
Molecular Formula	C11H8F3NO
Molecular Weight	227.18 g/mol
Synonyms	3-Oxo-3-(3-methyl-5-(trifluoromethyl)phenyl)propanenitrile; 3-(3-Methyl-5-(trifluoromethyl)phenyl)-3-oxopropanenitrile; 3-Methyl-5-(trifluoromethyl)benzoylacetonitrile; 2-Cyano-1-(3-methyl-5-(trifluoromethyl)phenyl)ethan-1-one; 3-Oxo-3-(3-methyl-5-trifluoromethylphenyl)propiononitrile; α-Oxo-3-methyl-5-(trifluoromethyl)benzeneacetonitrile
EINECS	Contact for details

Quality Control

Every batch of 3-Oxo-3-(3-Methyl-5-Trifluoromethylphenyl)-Propionitrile is manufactured and tested under a strict quality management system. We provide comprehensive analytical data to ensure the material meets the precise requirements for research and scale-up applications. A detailed Certificate of Analysis (COA) confirming identity, purity, and impurity profile by HPLC, NMR, and MS is supplied with each shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at a controlled room temperature (15-25°C). The compound may be light-sensitive and should be handled under an inert atmosphere for long-term storage to maintain optimal purity.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	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.