Description

3-Bromo-5-Mercapto-Benzonitrile is a high-value, multi-functional aromatic intermediate featuring both bromo and mercapto (thiol) substituents on a benzonitrile core. This unique structure makes it a critical building block for synthesizing complex molecules in advanced research and development. It is primarily sought after by pharmaceutical and agrochemical R&D teams for creating novel active ingredients, as well as by material scientists developing specialty polymers and ligands.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of potential drug candidates, particularly those targeting enzyme inhibition or requiring specific molecular recognition.
• Agrochemical Synthesis: Used in the research and development of new herbicides, fungicides, and insecticides, leveraging its reactive sites for structural diversification.
• Ligand and Catalyst Development: Serves as a versatile starting material for creating custom chelating ligands, metal-organic frameworks (MOFs), and organocatalysts.
• Polymer Modification: The thiol group allows for thiol-ene "click" chemistry, enabling the functionalization of polymers and surfaces for specialty material applications.
• Chemical Research: A valuable reagent for exploring novel organic transformations and constructing complex heterocyclic compounds in academic and industrial laboratories.

Basic Information

Product Name	3-Bromo-5-Mercapto-Benzonitrile
CAS No.	1374518-04-3
Molecular Formula	C7H4BrNS
Molecular Weight	214.08 g/mol
Synonyms	5-Bromo-3-mercaptobenzonitrile; 3-Bromo-5-sulfanylbenzonitrile; 3-Bromo-5-thiocyanatobenzonitrile (precursor); Benzonitrile, 3-bromo-5-mercapto-; 3-Bromo-5-thiolbenzonitrile; 5-Cyano-1-bromo-3-thiophenol; 3-Bromo-5-hydroxybenzenecarbonitrile (common misnomer)
EINECS	Contact for details

Quality Control

Our production of 3-Bromo-5-Mercapto-Benzonitrile adheres to stringent quality management protocols to ensure batch-to-batch consistency and high purity. Each lot is characterized using advanced analytical techniques including HPLC, GC-MS, and NMR spectroscopy. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with every shipment to support your quality assurance and regulatory needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at room temperature (15-25°C). The compound is moisture-sensitive (hygroscopic) and should be handled under an inert atmosphere for prolonged stability. Keep away from strong oxidizing agents.

Specification

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