Description

1-Methyl-2-Trifluoromethylsulfanyl-Benzene is a specialized organosulfur and organofluorine compound, also known as 2-(Trifluoromethyl)thio)toluene. This high-value intermediate is prized for its unique combination of a methyl group and a highly electronegative trifluoromethylthio (-SCF₃) substituent on the benzene ring, which imparts significant lipophilicity and metabolic stability. It is primarily sought after by R&D chemists and process development scientists in the pharmaceutical and agrochemical sectors for use in the synthesis of novel active ingredients, where the introduction of the -SCF₃ moiety can dramatically alter biological activity and physicochemical properties.

Application

• Pharmaceutical Intermediate: A key building block for the synthesis of active pharmaceutical ingredients (APIs), particularly in the development of drugs targeting central nervous system (CNS) disorders, anti-infectives, and oncology therapeutics.
• Agrochemical Synthesis: Used in the research and production of advanced pesticides, herbicides, and fungicides, where the -SCF₃ group enhances compound penetration, rainfastness, and overall efficacy.
• Material Science Research: Serves as a precursor for developing novel fluorinated polymers, liquid crystals, and electronic materials with tailored surface properties and chemical resistance.
• Organic Synthesis & Catalysis: Employed as a reagent in cross-coupling reactions and as a substrate for developing new methodologies in fluorine chemistry and C-S bond formation.
• Chemical Biology Probes: Utilized in the design and synthesis of chemical probes for studying enzyme mechanisms and protein-ligand interactions due to its strong electron-withdrawing character.

Basic Information

Product Name	1-Methyl-2-Trifluoromethylsulfanyl-Benzene
CAS No.	1736-75-0
Molecular Formula	C₈H₇F₃S
Molecular Weight	192.20 g/mol
Synonyms	2-(Trifluoromethyl)thio)toluene; o-Methyl(trifluoromethyl)thio)benzene; 2-Methylphenyl trifluoromethyl sulfide; 1-Methyl-2-((trifluoromethyl)thio)benzene; α,α,α-Trifluoro-o-tolyl mercaptan; Benzene, 1-methyl-2-[(trifluoromethyl)thio]-; o-Tolyl trifluoromethyl sulfide
EINECS	217-082-5

Quality Control

Our production of 1-Methyl-2-Trifluoromethylsulfanyl-Benzene adheres to stringent in-process controls and final release testing to ensure batch-to-batch consistency and high purity. We employ advanced analytical techniques including GC, HPLC, NMR, and GC-MS for comprehensive characterization and impurity profiling. A detailed Certificate of Analysis (COA) is provided with each shipment, documenting key parameters such as assay, identity, and specific impurities. Our quality system is designed to support our customers' regulatory filings in demanding applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area away from incompatible materials such as strong acids and oxidizing agents. Recommended storage temperature is between 2°C and 25°C. Keep container tightly sealed when not in use to prevent moisture absorption and minimize exposure to air.

Specification

Item	Specification
Appearance	Clear, colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Assay (GC)	≥ 98.0%
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Related Substances (GC)	Individual impurity ≤ 1.0%
Density (at 20°C)	1.30 - 1.35 g/mL
Refractive Index (n20D)	1.480 - 1.490

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