Description

Benzothiazole, 5-Fluoro-2-Isocyanato- (9Ci) is a specialized heterocyclic building block of significant interest in advanced organic synthesis. This compound matters for its role as a key precursor in the development of novel active pharmaceutical ingredients (APIs) and agrochemicals, where the benzothiazole core imparts valuable biological activity. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and material science industries seeking to incorporate functionalized benzothiazole motifs into their target molecules.

Application

• Pharmaceutical Intermediate: A critical building block for the synthesis of novel drug candidates, particularly those targeting neurological disorders, oncology, and infectious diseases.
• Agrochemical Synthesis: Used in the research and development of next-generation herbicides, fungicides, and insecticides, leveraging the bioactivity of the fluorinated benzothiazole scaffold.
• Material Science Research: Serves as a monomer or functionalizing agent in the development of advanced polymers, liquid crystals, and organic electronic materials.
• Chemical Biology Probes: Employed in the creation of fluorescent tags, enzyme inhibitors, and other molecular probes for diagnostic and research applications.
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs and research institutions for bespoke synthesis projects requiring high-purity, specialized intermediates.

Basic Information

Product Name	Benzothiazole, 5-Fluoro-2-Isocyanato- (9Ci)
CAS No.	63876-71-1
Molecular Formula	C8H3FN2OS
Molecular Weight	194.18 g/mol
Synonyms	5-Fluoro-2-isocyanatobenzothiazole; 2-Isocyanato-5-fluorobenzothiazole; 5-Fluorobenzothiazol-2-yl isocyanate; Benzothiazole, 5-fluoro-2-isocyanato-; Isocyanic acid, 5-fluorobenzothiazol-2-yl ester
EINECS	Contact for details

Quality Control

Every batch of 5-Fluoro-2-Isocyanatobenzothiazole is produced and tested under strict quality management protocols to ensure consistency and reliability for your synthetic workflows. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing purity, identity, and impurity profiles. Our quality systems are designed to support cGMP compliance for pharmaceutical applications, and we adhere to relevant ISO standards.

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 product is hygroscopic (moisture-sensitive) and light-sensitive; therefore, containers must be kept sealed under an inert atmosphere (e.g., nitrogen or argon) when not in use to prevent degradation and moisture uptake.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Related Substances (HPLC)	Total impurities ≤ 2.0%
Single Unknown Impurity	≤ 0.5%

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