Description

(3-Bromo-5-(Trifluoromethyl)Phenyl)(Methyl)Sulfane is a high-value organosulfur and organobromine building block characterized by its phenyl ring substituted with bromine, a trifluoromethyl group, and a methylthioether moiety. This compound matters for its unique reactivity profile, offering multiple handles for cross-coupling reactions and serving as a versatile synthon for introducing sulfur and fluorine-containing groups into complex molecules. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical and agrochemical industries for the synthesis of novel active ingredients, as well as in advanced material science for creating functionalized aromatic systems.

Application

• Pharmaceutical Intermediate: A key building block for the synthesis of drug candidates, particularly those targeting central nervous system (CNS) disorders, inflammation, and oncology, where the trifluoromethyl and bromine groups are critical for modulating bioavailability and binding affinity.
• Agrochemical Synthesis: Used in the research and development of novel herbicides, fungicides, and insecticides, leveraging the biological activity imparted by the sulfur and fluorine atoms.
• Material Science Precursor: Serves as a monomer or functionalization agent in the development of specialty polymers, liquid crystals, and organic electronic materials due to its aromatic and halogenated structure.
• Cross-Coupling Reactions: The bromine atom acts as an excellent site for palladium-catalyzed reactions like Suzuki, Stille, or Buchwald-Hartwig amination, enabling rapid diversification of chemical libraries.
• Ligand and Catalyst Development: Utilized to create novel sulfur-containing ligands for transition metal catalysts used in asymmetric synthesis and other catalytic processes.
• Chemical Biology Probes: Employed in the design of molecular probes and tags for studying biological systems and protein interactions.

Basic Information

Product Name	(3-Bromo-5-(Trifluoromethyl)Phenyl)(Methyl)Sulfane
CAS No.	1072944-92-3
Molecular Formula	C8H6BrF3S
Molecular Weight	271.10 g/mol
Synonyms	3-Bromo-5-(trifluoromethyl)thioanisole; Methyl 3-Bromo-5-(trifluoromethyl)phenyl Sulfide; 1-Bromo-3-(methylthio)-5-(trifluoromethyl)benzene; 3-Bromo-α,α,α-trifluoro-5-(methylthio)toluene; 3-Bromo-5-(trifluoromethyl)phenyl Methyl Sulfide; 3-Bromo-5-trifluoromethylthioanisole; (3-Bromo-5-trifluoromethylphenyl)methyl sulfide
EINECS	Contact for details

Quality Control

Our (3-Bromo-5-(Trifluoromethyl)Phenyl)(Methyl)Sulfane is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all critical quality attributes. Our production adheres to cGMP principles where applicable, ensuring reliability for research and scale-up activities.

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). Keep the container tightly sealed in a dry environment to prevent moisture uptake. Store away from incompatible materials such as strong oxidizing agents.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Heavy Metals	< 20 ppm
Residual Solvents (GC)	Meets ICH guidelines

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