Description

2-Chloro-4-Isocyanatophenyl Trifluoromethyl Sulphide, 2-Chloro-4-Isocyanato-1-[(Trifluoromethyl)Thio]Benzene is a specialized aromatic isocyanate derivative, distinguished by the presence of both a chloro substituent and a trifluoromethylthio group on the benzene ring. This unique structure makes it a high-value building block for synthesizing advanced polymers and functional materials with tailored properties. It is primarily required by R&D chemists and process engineers in the agrochemical, pharmaceutical, and advanced materials sectors for developing novel compounds with enhanced performance characteristics.

Application

• Agrochemical Intermediate: A key precursor for synthesizing novel herbicides, fungicides, and insecticides, where the trifluoromethylthio group can enhance biological activity and environmental stability.
• Pharmaceutical Synthesis: Serves as a versatile building block in medicinal chemistry for creating active pharmaceutical ingredients (APIs) and drug candidates, particularly those requiring specific isocyanate-linked pharmacophores.
• Polymer & Resin Modification: Used to introduce functional isocyanate groups into polymer chains, enabling the production of specialized polyurethanes, coatings, and adhesives with improved chemical resistance and durability.
• Advanced Material Research: Employed in R&D for developing high-performance materials, such as liquid crystals, organic semiconductors, and specialty polymers for electronics and optics.
• Cross-linking Agent: Functions as a reactive cross-linker in formulations for elastomers, sealants, and composite materials, enhancing mechanical strength and thermal properties.
• Chemical Synthesis Reagent: Acts as a critical reagent for introducing the 2-chloro-4-isocyanato-phenylthio(trifluoromethyl) moiety into more complex molecular architectures in custom synthesis projects.

Basic Information

Product Name	2-Chloro-4-Isocyanatophenyl Trifluoromethyl Sulphide
CAS No.	76729-41-4
Molecular Formula	C8H3ClF3NOS
Molecular Weight	253.62 g/mol
Synonyms	2-Chloro-4-Isocyanato-1-[(Trifluoromethyl)Thio]Benzene; 1-Chloro-2-Isocyanato-5-[(Trifluoromethyl)Thio]Benzene; 2-Chloro-α,α,α-trifluoro-4-isocyanatobenzenemethanethiol; 4-Isocyanato-2-chlorophenyl Trifluoromethyl Sulfide; 2-Chloro-4-isocyanatophenyl Trifluoromethyl Sulfide; Benzene, 2-chloro-1-isocyanato-4-[(trifluoromethyl)thio]-; Isocyanic Acid, 2-Chloro-4-[(Trifluoromethyl)Thio]Phenyl Ester
EINECS	Contact for details

Quality Control

Every batch of 2-Chloro-4-Isocyanatophenyl Trifluoromethyl Sulphide undergoes rigorous analytical testing to ensure it meets the high-purity standards required for advanced synthesis. Our quality assurance protocol includes HPLC, GC, NMR, and IR spectroscopy to verify identity, purity, and the absence of critical impurities. A comprehensive Certificate of Analysis (COA) detailing all test results is provided with each shipment to support your quality management and regulatory compliance needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at temperatures between 2°C and 8°C (refrigerated) to maximize stability. This compound is hygroscopic (moisture-sensitive) and must be handled under a dry inert atmosphere (e.g., nitrogen or argon) to prevent degradation from atmospheric moisture. Keep away from heat, sparks, open flames, and incompatible materials such as alcohols, amines, and strong bases.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Related Substances (HPLC)	Total impurities ≤ 2.0%

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