Description

[2-(Trifluoromethyl)Phenyl]Methanethiol CAS NO 26039-98-5 is a specialized organosulfur compound featuring a phenyl ring substituted with a trifluoromethyl group and a methanethiol functional group. This unique structure makes it a valuable building block in advanced organic synthesis, particularly for introducing sulfur-containing motifs with enhanced lipophilicity and metabolic stability. It is primarily sought after by research chemists and process development scientists in the pharmaceutical and agrochemical industries for the development of novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: Key synthon for the preparation of drug candidates, especially those targeting central nervous system (CNS) disorders, where the trifluoromethyl group can improve blood-brain barrier penetration.
• Agrochemical Synthesis: Used in the research and development of new herbicides, fungicides, and insecticides, leveraging the bioactivity of the thiol and the stability of the CF3 group.
• Ligand and Catalyst Precursor: Serves as a starting material for synthesizing specialized ligands used in transition metal catalysis and coordination chemistry.
• Material Science Research: Employed in the creation of novel monomers or additives for polymers, where the sulfur and fluorine atoms can impart specific chemical resistance or surface properties.
• Chemical Biology Probes: Useful for bioconjugation or as a building block in probe molecules for studying biological systems and protein interactions.

Basic Information

Product Name	[2-(Trifluoromethyl)Phenyl]Methanethiol
CAS No.	26039-98-5
Molecular Formula	C8H7F3S
Molecular Weight	192.20 g/mol
Synonyms	2-(Trifluoromethyl)benzyl mercaptan; α-(Trifluoromethyl)benzenemethanethiol; (2-Trifluoromethylphenyl)methanethiol; 2-(Trifluoromethyl)benzylthiol; 1-(Mercaptomethyl)-2-(trifluoromethyl)benzene; o-(Trifluoromethyl)benzyl mercaptan; Benzyl mercaptan, 2-(trifluoromethyl)-; 2-Trifluoromethylbenzyl mercaptan
EINECS	Contact for details

Quality Control

Our [2-(Trifluoromethyl)Phenyl]Methanethiol is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including chromatography (GC/HPLC) and spectroscopic methods (NMR, IR), to ensure identity, purity, and consistency. We provide a detailed Certificate of Analysis (COA) with every shipment, confirming compliance with agreed specifications. Our quality system supports development and cGMP-grade production for advanced research and scale-up needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C) under an inert atmosphere (e.g., nitrogen) to prevent oxidation. Keep away from strong oxidizing agents, strong bases, and sources of ignition.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (GC)	≥ 97.0%
Water Content (KF)	≤ 0.5%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.