Description

4-(Trifluoromethylthio)Benzonitrile is a versatile fluorinated aromatic nitrile building block characterized by its trifluoromethylthio (-SCF₃) functional group. This compound is highly valued for its role in introducing the lipophilic and electron-withdrawing SCF₃ moiety into target molecules, which can significantly alter their physicochemical and biological properties. It is primarily sought after by research and development chemists in the pharmaceutical and agrochemical industries for the synthesis of novel active ingredients.

Application

• Pharmaceutical Intermediate: Key building block for synthesizing potential drug candidates, particularly in medicinal chemistry programs targeting CNS disorders, anti-infectives, and oncology.
• Agrochemical Synthesis: Used in the research and development of new herbicides, fungicides, and insecticides, where the SCF₃ group can enhance bioavailability and metabolic stability.
• Material Science Research: Serves as a precursor for advanced materials, including liquid crystals, organic semiconductors, and specialty polymers.
• Organic Synthesis Reagent: Employed in cross-coupling reactions (e.g., Suzuki, Sonogashira) and nucleophilic aromatic substitution to create complex, fluorinated aromatic structures.
• Chemical Biology Probe Development: Useful for labeling and modifying biomolecules to study protein-ligand interactions and metabolic pathways.

Basic Information

Product Name	4-(Trifluoromethylthio)Benzonitrile
CAS No.	332-26-3
Molecular Formula	C₈H₄F₃NS
Molecular Weight	203.18 g/mol
Synonyms	p-(Trifluoromethylthio)benzonitrile; 4-(Trifluoromethylsulfanyl)benzonitrile; 4-(Trifluoromethylmercapto)benzonitrile; Benzonitrile, 4-[(trifluoromethyl)thio]-; 4-SCF₃-Benzo nitrile; α,α,α-Trifluoro-p-thiocyanatotoluene (obsolete); 4-Cyanophenyl trifluoromethyl sulfide
EINECS	206-368-5

Quality Control

Our production of 4-(Trifluoromethylthio)Benzonitrile adheres to stringent internal quality standards to ensure batch-to-batch consistency and reliability for your synthetic workflows. Each lot is analyzed via modern analytical techniques including HPLC, GC, NMR, and IR spectroscopy. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with every shipment to support your quality assurance and regulatory documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at room temperature (15-25°C). Keep away from heat, sparks, and open flame. 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
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.