Description

2-Chloro-1-Isocyanato-4-Trifluoromethylsulfanyl-Benzene is a specialized aromatic isocyanate derivative, distinguished by its chloro and trifluoromethylthio substituents. This compound serves as a critical high-value building block in advanced organic synthesis, enabling the introduction of both isocyanate functionality and a fluorinated thioether group into target molecules. It is primarily utilized by R&D chemists and process development scientists in the pharmaceutical and agrochemical industries for creating novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of novel drug candidates, particularly those targeting central nervous system (CNS) disorders and anti-infective agents.
• Agrochemical Synthesis: Building block for developing next-generation herbicides, fungicides, and insecticides with enhanced activity and environmental profiles.
• Material Science: Used in the production of specialized polymers, coatings, and resins where the incorporation of fluorine and sulfur imparts unique chemical resistance and surface properties.
• Ligand and Catalyst Development: Serves as a starting material for synthesizing complex ligands used in asymmetric catalysis and metal-organic frameworks (MOFs).
• Custom Chemical Synthesis: Employed in contract research and manufacturing organizations (CROs/CMOs) for bespoke synthesis projects requiring this specific trifluoromethylthio-isocyanate motif.

Basic Information

Item	Details
Product Name	2-Chloro-1-Isocyanato-4-Trifluoromethylsulfanyl-Benzene
CAS No.	55225-89-3
Molecular Formula	C8H3ClF3NOS
Molecular Weight	253.62 g/mol
Synonyms	2-Chloro-1-isocyanato-4-[(trifluoromethyl)sulfanyl]benzene; 2-Chloro-α,α,α-trifluoro-4-isocyanatothioanisole; 4-Chloro-3-isocyanatophenyl trifluoromethyl sulfide; 2-Chloro-4-(trifluoromethylthio)phenyl isocyanate; 3-Isocyanato-4-chlorophenyl trifluoromethyl sulphide; 2-Chloro-1-isocyanato-4-(trifluoromethylthio)benzene; 2-Chloro-4-(trifluoromethylsulfanyl)phenyl isocyanate
EINECS	Contact for details

Quality Control

Our production of 2-Chloro-1-Isocyanato-4-Trifluoromethylsulfanyl-Benzene adheres to stringent quality protocols to ensure batch-to-batch consistency and reliability for sensitive synthetic applications. Each lot is characterized by advanced analytical techniques including HPLC, GC, NMR, and IR spectroscopy. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with every shipment. We support cGMP compliance for pharmaceutical use and can tailor specifications to meet specific project requirements.

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). Due to its hygroscopic and moisture-sensitive nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent decomposition from atmospheric moisture. Isolate from strong bases, acids, and oxidizing agents.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid or solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%

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