Description

3-Bromo-4-(Methylsulfanyl)Benzonitrile is a versatile and high-value aromatic nitrile building block, distinguished by its bromine and methylthio functional groups. This compound is essential for facilitating advanced cross-coupling reactions and serving as a key precursor in complex organic synthesis. It is primarily sought after by research institutions and manufacturers in the pharmaceutical, agrochemical, and material science sectors for developing novel active ingredients and functional molecules.

Application

• Pharmaceutical Intermediate: A critical precursor in the synthesis of active pharmaceutical ingredients (APIs), particularly for molecules requiring a benzonitrile core with halogen and sulfur functionalities.
• Agrochemical Synthesis: Used in the research and development of new herbicides, fungicides, and insecticides, leveraging its reactivity for creating diverse heterocyclic systems.
• Material Science Research: Serves as a building block for organic electronic materials, such as organic semiconductors and liquid crystals, due to its electron-withdrawing nitrile group.
• Cross-Coupling Reactions: The bromine atom makes it an excellent substrate for Suzuki, Stille, and Buchwald-Hartwig amination reactions to form complex biaryl and other structures.
• Ligand and Catalyst Development: Utilized in the preparation of specialized ligands for metal catalysis, where the sulfur and nitrile groups can coordinate to metal centers.
• Chemical Biology Probes: Employed in the design and synthesis of molecular probes and tags for studying biological processes.

Basic Information

Item	Detail
Product Name	3-Bromo-4-(Methylsulfanyl)Benzonitrile
CAS No.	1379371-43-3
Molecular Formula	C8H6BrNS
Molecular Weight	228.11 g/mol
Synonyms	4-(Methylthio)-3-bromobenzonitrile; 3-Bromo-4-methylthiobenzonitrile; 3-Bromo-4-(methylthio)benzonitrile; 4-Methylsulfanyl-3-bromo-benzonitrile; Benzonitrile, 3-bromo-4-(methylthio)-; 3-Bromo-4-(methylsulfanyl)benzonitrile; 3-Bromo-4-(methylmercapto)benzonitrile; 3-Bromo-4-(methylsulfanyl)benzonitrile CAS 1379371-43-3
EINECS	Contact for details

Quality Control

Every batch of 3-Bromo-4-(Methylsulfanyl)Benzonitrile is manufactured under strict quality management protocols. We employ advanced analytical techniques including HPLC, GC, NMR, and mass spectrometry to ensure identity, purity, and consistency. A comprehensive Certificate of Analysis (COA) detailing purity, assay, and impurity profiles is provided with each shipment and is available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). This product is hygroscopic (moisture-sensitive) and should be kept under an inert atmosphere for long-term storage to maintain stability.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Assay (HPLC)	≥97.0%
Purity (GC)	≥96.0%
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.