Description

4-Methylbenzene-1-Thiosulfonic Acid S-Trifluoromethyl Ester is a specialized organosulfur building block characterized by its unique thiosulfonate ester functional group. This compound is valued for its role as a versatile intermediate in advanced organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. It is primarily sought by R&D chemists and process development scientists in the fine chemical, pharmaceutical, and crop protection industries for constructing complex molecular architectures.

Application

• Pharmaceutical Intermediate: Key building block in the synthesis of active pharmaceutical ingredients (APIs), especially those containing sulfur or fluorine motifs.
• Agrochemical Synthesis: Used in the research and production of novel herbicides, fungicides, and insecticides.
• Material Science Research: Serves as a precursor for functional materials and ligands in catalysis.
• Cross-Coupling Reactions: Acts as an electrophilic coupling partner in metal-catalyzed reactions to introduce the -SCF3 or arylthio groups.
• Fluorinated Compound Library Synthesis: Essential for creating diverse compound libraries in medicinal chemistry for drug discovery programs.
• Chemical Biology Probes: Utilized in the development of biochemical probes and labeling reagents.

Basic Information

Product Name	4-Methylbenzene-1-Thiosulfonic Acid S-Trifluoromethyl Ester
CAS No.	15223-20-8
Molecular Formula	C8H7F3O2S2
Molecular Weight	256.26 g/mol
Synonyms	p-Toluenethiosulfonic Acid S-Trifluoromethyl Ester; 4-Methylbenzenethiosulfonic Acid Trifluoromethyl Ester; S-(Trifluoromethyl) 4-Methylbenzenethiosulfonate; Benzenethiosulfonic Acid, 4-Methyl-, S-(Trifluoromethyl) Ester; 4-Methylbenzene-1-sulfonothioic S-trifluoromethyl ester; p-Tolyl S-Trifluoromethyl Thiosulfonate
EINECS	Contact for details

Quality Control

Our production of 4-Methylbenzene-1-Thiosulfonic Acid S-Trifluoromethyl Ester adheres to stringent quality management protocols. Each batch is analytically verified to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with detailed chromatographic and spectroscopic data. Our quality systems are designed to support cGMP (current Good Manufacturing Practice) requirements for advanced intermediates, ensuring reliability for critical R&D and scale-up processes.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place. Recommended storage temperature is 2-8°C for long-term stability. The container should be kept tightly sealed in a dry inert atmosphere to minimize moisture uptake and decomposition.

Specification

Item	Specification
Appearance	White to off-white crystalline solid
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 97.0%
Purity (GC)	≥ 96.0%
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.