Description

4-(Trifluoromethylthio)Benzyl Bromide is a high-value organobromide building block characterized by the presence of both a reactive benzyl bromide group and a stable, lipophilic trifluoromethylthio (SCF₃) moiety. This unique structure makes it a critical intermediate for introducing the SCF₃ group into target molecules, a modification known to significantly enhance metabolic stability, lipophilicity, and membrane permeability. It is primarily sought after by research and development chemists in the pharmaceutical and agrochemical industries for the synthesis of novel active ingredients.

Application

• Pharmaceutical Intermediate: Key building block for synthesizing drug candidates with improved pharmacokinetic properties, particularly in medicinal chemistry programs targeting CNS and oncology.
• Agrochemical Synthesis: Used in the development of advanced pesticides and herbicides where the SCF₃ group contributes to enhanced biological activity and environmental stability.
• Material Science Research: Serves as a precursor for functionalized monomers or ligands used in specialty polymers and advanced materials.
• Cross-Coupling Reactions: The benzyl bromide moiety is reactive in various metal-catalyzed cross-coupling reactions (e.g., Suzuki, Heck) for carbon-carbon bond formation.
• Nucleophilic Substitution: Reacts with a wide range of nucleophiles (amines, thiols, alkoxides) to create diverse sulfur-containing compounds.
• Fluorine Chemistry: An important reagent in organofluorine chemistry for the study of structure-activity relationships (SAR).

Basic Information

Product Name	4-(Trifluoromethylthio)Benzyl Bromide
CAS No.	21101-63-3
Molecular Formula	C₈H₆BrF₃S
Molecular Weight	271.10 g/mol
Synonyms	α-Bromo-4-(trifluoromethylthio)toluene; (4-(Trifluoromethylthio)phenyl)methyl bromide; 1-(Bromomethyl)-4-(trifluoromethylthio)benzene; p-(Trifluoromethylthio)benzyl bromide; 4-(SCF3)Benzyl Bromide; 4-Trifluoromethylthiobenzyl Bromide
EINECS	Contact for details

Quality Control

Our production of 4-(Trifluoromethylthio)Benzyl Bromide adheres to stringent internal quality standards to ensure batch-to-batch consistency and reliability for your synthetic workflows. Each lot is analyzed using advanced techniques including HPLC, GC, and NMR to confirm identity and purity. A comprehensive Certificate of Analysis (COA) detailing purity, assay, and impurity profiles is provided with every shipment and is available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at room temperature (15-25°C). Keep away from strong bases and incompatible materials. Due to its light-sensitive nature and reactive benzyl bromide group, it is recommended to store under an inert atmosphere for long-term preservation of quality.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid or low-melting solid
Identification (IR)	Conforms to structure
Purity (HPLC/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.