Description

Benzonitrile, 3-Bromo-5-(Methylthio)- is a high-purity, halogenated aromatic nitrile building block of significant interest in advanced organic synthesis. Its molecular structure, featuring both bromine and methylthio substituents on the benzonitrile core, makes it a versatile intermediate for constructing complex molecules. This compound is primarily utilized by research chemists and process development scientists in the pharmaceutical and agrochemical industries for the synthesis of novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: A key building block in the synthesis of potential drug candidates, particularly those targeting kinase inhibition or requiring specific halogenated aromatic motifs.
• Agrochemical Synthesis: Used in the research and development of new herbicides, fungicides, and insecticides, where the bromine atom offers a site for further functionalization.
• Ligand and Catalyst Development: Serves as a precursor for creating specialized ligands used in transition metal catalysis and coordination chemistry.
• Material Science Research: Employed in the development of organic semiconductors, liquid crystals, and other advanced functional materials due to its electron-withdrawing nitrile group and modifiable substituents.
• Custom Synthesis and Contract Manufacturing: A critical starting material for custom synthesis houses and CDMOs (Contract Development and Manufacturing Organizations) serving the life sciences sector.

Basic Information

Product Name	Benzonitrile, 3-Bromo-5-(Methylthio)-
CAS No.	1595930-26-9
Molecular Formula	C8H6BrNS
Molecular Weight	228.11 g/mol
Synonyms	3-Bromo-5-(methylthio)benzonitrile; 5-Bromo-3-(methylthio)benzonitrile; 3-Bromo-5-methylthiobenzonitrile; 3-Bromo-5-(methylsulfanyl)benzonitrile; 5-Bromo-3-methylthiobenzonitrile; Benzonitrile, 3-bromo-5-(methylthio)-; 3-Bromo-5-(methylmercapto)benzonitrile
EINECS	Contact for details

Quality Control

Every batch of Benzonitrile, 3-Bromo-5-(Methylthio)- is produced and analyzed under a strict quality management system. We provide comprehensive analytical data to ensure the compound meets the exacting standards required for research and development. A detailed Certificate of Analysis (COA) is supplied with each shipment, typically including results for purity (HPLC/GC), identity confirmation (IR, NMR), and impurity profiling.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (typically 15-25°C). Keep away from heat, sparks, and open flame. For long-term storage, consider storing under an inert atmosphere to maintain optimal purity.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥97.0% (Typical: ≥98.0%)
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.