Description

S-(Trifluoromethyl) 4-Bromobenzothioate is a high-value organosulfur building block characterized by its reactive bromo and trifluoromethylthio functional groups. This compound matters for its role in facilitating efficient cross-coupling reactions and serving as a key precursor in the synthesis of complex molecules, particularly in advanced material and pharmaceutical research. It is needed by R&D chemists and process development scientists in the agrochemical, pharmaceutical, and specialty chemical industries for constructing novel sulfur- and fluorine-containing compounds.

Application

• Pharmaceutical Intermediate: A crucial building block for the synthesis of active pharmaceutical ingredients (APIs), especially those containing trifluoromethylthioether motifs known for enhancing metabolic stability and lipophilicity.
• Agrochemical Synthesis: Used in the research and development of novel herbicides, fungicides, and insecticides where the SCF3 group can improve biological activity and environmental persistence.
• Material Science Precursor: Serves as a monomer or functionalization agent in the development of advanced polymers, liquid crystals, and organic electronic materials.
• Cross-Coupling Reactions: The bromo substituent makes it an excellent substrate for palladium-catalyzed reactions like Suzuki, Negishi, and Buchwald-Hartwig aminations for carbon-carbon and carbon-heteroatom bond formation.
• Fluorine Chemistry Research: An important reagent for introducing the SCF3 group into organic molecules, a valuable moiety in medicinal and agrochemical discovery.
• Ligand and Catalyst Development: Employed in the synthesis of novel sulfur-containing ligands for metal catalysis.

Basic Information

Product Name	S-(Trifluoromethyl) 4-Bromobenzothioate
CAS No.	1927969-26-3
Molecular Formula	C8H4BrF3OS
Molecular Weight	285.08 g/mol
Synonyms	4-Bromophenyl trifluoromethyl thioether; 4-Bromobenzene-1-sulfenyl trifluoromethane; p-Bromophenyl trifluoromethyl sulfide; 1-Bromo-4-((trifluoromethyl)thio)benzene; 4-Bromo-α,α,α-trifluorothioanisole; S-(Trifluoromethyl)-4-bromobenzenethiolate; 4-Bromophenyl S-trifluoromethyl disulfide derivative (precursor); Benzene, 1-bromo-4-[(trifluoromethyl)thio]-
EINECS	Contact for details

Quality Control

Our S-(Trifluoromethyl) 4-Bromobenzothioate is manufactured under strict quality management protocols. Each batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure high chemical purity and identity confirmation. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all relevant specifications. Our quality system is designed to meet the stringent requirements of research and development applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). The compound should be kept under an inert atmosphere for long-term storage to maintain stability. Keep away from strong oxidizing agents and strong bases.

Specification

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