Description

2-(Trifluoromethylthio)Benzonitrile 98 is a high-purity organofluorine building block featuring a benzonitrile core substituted with a trifluoromethylthio group. This compound is valued for its unique combination of electronic and steric properties, making it a critical intermediate in advanced synthetic chemistry. It is primarily sought after by research and development teams in the pharmaceutical and agrochemical sectors for constructing novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: Key synthon for the development of active pharmaceutical ingredients (APIs), particularly in medicinal chemistry programs targeting new therapeutic agents.
• Agrochemical Synthesis: Used in the research and production of advanced pesticides and herbicides, where the trifluoromethylthio group can enhance biological activity and metabolic stability.
• Material Science Research: Serves as a precursor for specialty polymers, liquid crystals, and organic electronic materials due to its electron-withdrawing characteristics.
• Chemical Biology Probes: Employed in the synthesis of molecular probes and ligands for studying biological systems and enzyme mechanisms.
• Cross-Coupling Reactions: Acts as a substrate in palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Buchwald-Hartwig) to create complex biaryl structures.

Basic Information

Product Name	2-(Trifluoromethylthio)Benzonitrile 98
CAS No.	37526-65-1
Molecular Formula	C8H4F3NS
Molecular Weight	203.18 g/mol
Synonyms	2-[(Trifluoromethyl)thio]benzonitrile; o-(Trifluoromethylthio)benzonitrile; 2-(Trifluoromethylsulfanyl)benzonitrile; Benzonitrile, 2-[(trifluoromethyl)thio]-; 2-Cyanophenyl trifluoromethyl sulfide; 2-Trifluoromethylthiobenzonitrile; α,α,α-Trifluoro-o-toluenethiol cyanide
EINECS	Contact for details

Quality Control

Our 2-(Trifluoromethylthio)Benzonitrile 98 is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, GC, and NMR, to ensure it meets the specified 98% minimum purity and consistent impurity profile. Certificates of Analysis (COA) with full traceability are provided with every shipment to support your quality assurance and regulatory needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at room temperature (15-25°C). Keep away from strong oxidizing agents and strong bases.

Specification

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