Description

2-Bromo-4-Cyanophenylisothiocyanate is a versatile and highly functionalized organic building block, primarily valued for its dual reactive sites that enable the synthesis of complex heterocyclic and pharmaceutical intermediates. Its molecular structure, featuring both an electrophilic isothiocyanate group and a nucleophilic nitrile, makes it a critical reagent for constructing diverse chemical libraries in medicinal chemistry and materials science. This compound is essential for researchers and process chemists in pharmaceutical R&D, agrochemical development, and advanced material synthesis who require high-purity, reliable intermediates for lead optimization and scale-up.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of potential drug candidates, particularly for kinase inhibitors and other small molecule therapeutics.
• Agrochemical Synthesis: Used in the development of novel herbicides and fungicides, leveraging its halogen and nitrile functionalities.
• Heterocyclic Chemistry: Serves as a crucial starting material for constructing thiazole, benzothiazole, and other sulfur/nitrogen-containing heterocycles.
• Chemical Biology Probes: Utilized in the design of activity-based probes (ABPs) and covalent inhibitors for target identification and validation studies.
• Material Science Research: Acts as a monomer or cross-linking agent in the development of specialty polymers and functional materials.
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs and research organizations for bespoke synthesis projects and process development.

Basic Information

Product Name	2-Bromo-4-Cyanophenylisothiocyanate
CAS No.	1000577-91-2
Molecular Formula	C8H3BrN2S
Molecular Weight	239.09 g/mol
Synonyms	2-Bromo-4-cyanophenyl isothiocyanate; 1-Bromo-2-isothiocyanato-4-cyanobenzene; 4-Cyano-2-bromophenyl isothiocyanate; (2-Bromo-4-cyanophenyl)isothiocyanate; Isothiocyanic acid, 2-bromo-4-cyanophenyl ester; Benzene, 1-bromo-2-isothiocyanato-4-cyano-
EINECS	Contact for details

Quality Control

Our 2-Bromo-4-Cyanophenylisothiocyanate is manufactured under strict quality control protocols to ensure batch-to-batch consistency and high purity for research and development applications. We provide comprehensive analytical data, including HPLC purity, identity confirmation (IR, NMR), and residual solvent analysis. A Certificate of Analysis (COA) is supplied with each batch, detailing all relevant specifications. For custom grades or specific impurity profiles, please contact our technical team.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). This compound is moisture-sensitive; keep the container tightly sealed under an inert atmosphere (e.g., nitrogen or argon) for long-term storage to prevent degradation. Keep away from strong bases and oxidizing agents.

Specification

Item	Specification
Appearance	Off-white to pale yellow crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Loss on Drying	≤ 0.5%
Residual Solvents (GC)	Meets ICH guidelines

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