Description

3-(Bromomethyl)-5-Chlorobenzonitrile is a versatile halogenated benzonitrile derivative, serving as a critical bifunctional building block in advanced organic synthesis. Its molecular structure, featuring both bromomethyl and chloro substituents on an aromatic nitrile core, makes it highly valuable for constructing complex molecules through sequential substitution and cross-coupling reactions. This intermediate is essential for researchers and process chemists in the pharmaceutical and agrochemical industries developing new active ingredients, particularly for creating libraries of compounds for screening and optimization.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of novel drug candidates, especially in medicinal chemistry programs targeting kinase inhibitors and other small molecule therapeutics.
• Agrochemical Synthesis: Used in the development of next-generation herbicides, fungicides, and insecticides, where the benzonitrile moiety is a common pharmacophore.
• Ligand and Catalyst Development: Serves as a starting material for synthesizing specialized ligands used in homogeneous catalysis and metal-organic frameworks (MOFs).
• Material Science Research: Employed in the creation of functionalized aromatic monomers for advanced polymers, liquid crystals, and organic electronic materials.
• Cross-Coupling Reactions: The bromomethyl group is reactive in palladium-catalyzed reactions (e.g., Suzuki, Heck), while the chloro group can be used for selective functionalization.
• Chemical Biology Probes: Useful for synthesizing tagged molecules or affinity probes for studying biological pathways and protein interactions.

Basic Information

Product Name	3-(Bromomethyl)-5-Chlorobenzonitrile
CAS No.	1021871-36-2
Molecular Formula	C8H5BrClN
Molecular Weight	230.49 g/mol
Synonyms	5-Chloro-3-(bromomethyl)benzonitrile; 3-Bromomethyl-5-chlorobenzonitrile; 5-Chloro-3-bromomethylbenzonitrile; 2-Bromo-1-(3-chloro-5-cyanophenyl)methane; Benzonitrile, 3-(bromomethyl)-5-chloro-; (3-Chloro-5-cyanophenyl)methyl bromide
EINECS	Contact for details

Quality Control

Every batch of 3-(Bromomethyl)-5-Chlorobenzonitrile is manufactured under strict quality management systems and undergoes rigorous analytical testing to ensure consistency and high purity. Our standard grade typically meets a purity specification of ≥97% (by HPLC), with detailed control of key impurities. A comprehensive Certificate of Analysis (COA) is provided with each shipment, detailing results for identity, assay, and impurity profiles. We support custom synthesis and can tailor specifications, including higher purity grades (≥98% or ≥99%), to meet specific project requirements under cGMP or ISO 9001 guidelines.

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 heat, sparks, and open flame. Due to its light-sensitive nature, the container should be opaque or stored in a dark place. For long-term storage, consider under an inert atmosphere to maintain stability.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 97.0%
Related Substances (HPLC)	Total impurities ≤ 3.0%
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.