Description

Benzothiazole, 2-(Iodomethyl)-5-(Trifluoromethyl)- is a high-value, multi-functional chemical intermediate designed for advanced synthesis. This compound matters for its unique trifluoromethyl and iodomethyl functional groups, which enable precise derivatization and are critical for modulating the physical and biological properties of target molecules. It is primarily needed by research and development chemists in the pharmaceutical and agrochemical industries for creating novel active ingredients, as well as by material scientists exploring advanced organic electronic materials.

Application

• Pharmaceutical Intermediate: A key building block for the synthesis of novel drug candidates, particularly in the development of kinase inhibitors, antiviral agents, and anti-inflammatory compounds.
• Agrochemical Synthesis: Used in the research and production of advanced pesticides and herbicides, where the benzothiazole core and fluorine atoms contribute to efficacy and environmental stability.
• Material Science Research: Serves as a precursor for organic light-emitting diodes (OLEDs), charge-transport materials, and other functional polymers due to its electron-deficient benzothiazole moiety.
• Ligand and Catalyst Development: Employed in organometallic chemistry to create specialized ligands for catalysis and molecular recognition applications.
• Fluorine Chemistry Studies: An important reagent for introducing the trifluoromethyl group into complex molecular architectures, a common strategy in modern medicinal chemistry.
• Custom Synthesis and Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for client-specific, multi-step synthetic routes.

Basic Information

Product Name	Benzothiazole, 2-(Iodomethyl)-5-(Trifluoromethyl)-
CAS No.	1355612-99-5
Molecular Formula	C9H5F3INS
Molecular Weight	343.11 g/mol
Synonyms	2-(Iodomethyl)-5-(trifluoromethyl)benzothiazole; 5-(Trifluoromethyl)-2-(iodomethyl)benzothiazole; 2-Iodomethyl-5-trifluoromethylbenzothiazole; Benzothiazole, 2-(iodomethyl)-5-(trifluoromethyl)-; 1355612-99-5; 2-(Iodomethyl)-5-(trifluoromethyl)-1,3-benzothiazole
EINECS	Contact for details

Quality Control

Every batch of Benzothiazole, 2-(Iodomethyl)-5-(Trifluoromethyl)- is produced and tested under a strict quality management system. We ensure compliance with high-purity standards suitable for research and industrial synthesis. Comprehensive analytical testing, including NMR, HPLC, and mass spectrometry, is performed to verify identity, purity, and consistency. A detailed Certificate of Analysis (COA) is provided with each shipment, documenting all critical quality attributes.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation. Keep away from incompatible materials.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 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.