Description

3-Bromobenzyl Thiocyanate is a versatile organosulfur and organobromine compound that serves as a valuable bifunctional building block in advanced chemical synthesis. Its molecular structure, featuring both a reactive thiocyanate group and a bromine substituent on a benzyl core, makes it a critical intermediate for constructing complex molecules with tailored properties. This compound is primarily utilized by research chemists and process development scientists in the pharmaceutical, agrochemical, and materials science industries for applications ranging from medicinal chemistry to polymer modification.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of novel drug candidates, particularly in the development of kinase inhibitors and other small molecule therapeutics.
• Agrochemical Synthesis: Used in the research and production of advanced pesticides and herbicides, where the thiocyanate moiety can impart biological activity.
• Ligand and Catalyst Development: Serves as a precursor for creating specialized ligands in coordination chemistry and catalysis.
• Material Science Research: Employed in the synthesis of functionalized polymers, liquid crystals, and organic electronic materials.
• Chemical Biology Probes: Useful for synthesizing activity-based probes and other tools for studying enzymatic processes and protein labeling.
• Cross-coupling Reactions: The benzyl bromide moiety acts as an electrophile in various palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Heck).

Basic Information

Product Name	3-Bromobenzyl Thiocyanate
CAS No.	1206228-39-8
Molecular Formula	C8H6BrNS
Molecular Weight	228.11 g/mol
Synonyms	(3-Bromophenyl)methyl thiocyanate; 1-(Bromomethyl)-3-thiocyanatobenzene; 3-Bromobenzylthio cyanate; α-Thiocyanato-3-bromotoluene; m-Bromobenzyl thiocyanate; 3-Bromobenzyl isothiocyanate (common misnomer); Thiocyanic acid, (3-bromobenzyl) ester
EINECS	Contact for details

Quality Control

Our 3-Bromobenzyl Thiocyanate is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including HPLC for purity assessment, NMR for structural confirmation, and GC-MS for impurity profiling. We provide a detailed Certificate of Analysis (COA) with every shipment, ensuring traceability and compliance with your research or production specifications. Custom purity grades and analytical packages are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at a controlled room temperature (15-25°C). Keep away from strong oxidizing agents, strong bases, and sources of heat. The compound may be light-sensitive; prolonged exposure to light should be avoided.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Loss on Drying	≤ 0.5%
Heavy Metals	≤ 20 ppm

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