Description

3-(Trifluoromethylsulphonyl)Benzonitrile is a high-value, multi-functional chemical building block characterized by its unique combination of a benzonitrile core with a powerful trifluoromethylsulfonyl (triflyl) substituent. This structure makes it a critical intermediate for synthesizing advanced materials and active pharmaceutical ingredients (APIs), where its electron-withdrawing groups can dramatically influence molecular properties. It is primarily sought after by research and development teams in the pharmaceutical, agrochemical, and specialty chemical industries for creating novel compounds with enhanced stability and bioactivity.

Application

• Pharmaceutical Intermediate: Serves as a key precursor in the synthesis of novel drug candidates, particularly in developing kinase inhibitors, antiviral agents, and other small-molecule therapeutics.
• Agrochemical Synthesis: Used in the research and production of advanced pesticides and herbicides, where the trifluoromethylsulfonyl group can improve metabolic stability and efficacy.
• Material Science: Acts as a building block for creating specialized polymers, liquid crystals, and electronic materials that require specific dielectric or optical properties.
• Organic Synthesis & Catalysis: Employed as a versatile reagent in cross-coupling reactions and as a ligand precursor in catalytic systems due to its strong electron-withdrawing nature.
• Chemical Research: Utilized in academic and industrial R&D for exploring new reaction pathways and creating compound libraries for high-throughput screening.

Basic Information

Product Name	3-(Trifluoromethylsulphonyl)Benzonitrile
CAS No.	1274903-99-9
Molecular Formula	C8H4F3NO2S
Molecular Weight	235.18 g/mol
Synonyms	3-((Trifluoromethyl)sulfonyl)benzonitrile; 3-(Trifluoromethanesulfonyl)benzonitrile; m-(Trifluoromethylsulfonyl)benzonitrile; Benzonitrile, 3-[(trifluoromethyl)sulfonyl]-; 3-Triflylbenzonitrile; 3-Cyanophenyl trifluoromethyl sulfone; 1-Cyano-3-(trifluoromethylsulfonyl)benzene
EINECS	Contact for details

Quality Control

Our 3-(Trifluoromethylsulphonyl)Benzonitrile is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all specified parameters. Our quality commitment supports compliance with cGMP and ICH guidelines for use in regulated research and development.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at room temperature (15-25°C). Keep away from strong bases and reducing agents. For long-term storage, consider under an inert atmosphere 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%
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.