Intermediates

1-Isothiocyanato-4-(trifluoromethoxy)benzene

  • CAS No.64285-95-6
  • GradeIndustrial / Pharmaceutical
  • Availability● In Stock

High-purity 1-Isothiocyanato-4-(trifluoromethoxy)benzene (CAS 64285-95-6) for advanced organic synthesis. Available in bulk with strict quality control and global shipping.

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Product Technical Details

Product Overview

1-Isothiocyanato-4-(trifluoromethoxy)benzene is a specialized organic intermediate characterized by the presence of both an isothiocyanate group and a trifluoromethoxy substituent on the benzene ring. This unique chemical structure makes it an invaluable building block in the synthesis of complex heterocyclic compounds, pharmaceutical agents, and agrochemical formulations. The trifluoromethoxy group is particularly noted for its ability to enhance metabolic stability and lipophilicity in drug candidates, serving as a effective bioisostere in medicinal chemistry programs.

Our manufacturing facility produces this compound under stringent quality management systems to ensure consistent purity and reliability. Each batch undergoes rigorous analytical testing, including GC-MS and NMR spectroscopy, to verify structural integrity and impurity profiles. We are committed to supplying research institutions and industrial partners with materials that meet the highest standards of chemical purity.

Technical Specifications

ParameterSpecification
CAS Number64285-95-6
Molecular FormulaC8H4F3NOS
Molecular Weight219.18 g/mol
AppearanceColorless transparent liquid
Assay (Purity)≥99.0%
Density1.35 g/mL at 25 °C
Boiling Point215-218 °C
Flash Point225 °F

Industrial Applications

This isothiocyanate derivative is primarily utilized as a key intermediate in the production of sulfur-containing heterocycles, such as thioureas and thiazoles. These structures are fundamental scaffolds in the development of novel therapeutic agents targeting various biological pathways. Additionally, the compound finds application in the agrochemical sector, where it serves as a precursor for specialized pesticides and herbicides requiring high environmental stability.

Researchers value this material for its reactivity profile, which allows for efficient coupling reactions under controlled conditions. The trifluoromethoxy moiety contributes to the overall physicochemical properties of the final product, often improving membrane permeability and binding affinity in biological assays. Our team supports clients with technical data and safety information to facilitate smooth integration into their synthesis workflows.

Quality Assurance and Storage

We maintain a robust quality assurance protocol that tracks every stage of production from raw material sourcing to final packaging. Certificates of Analysis (COA) and Material Safety Data Sheets (MSDS) are provided with every shipment to ensure compliance with international safety regulations. To maintain optimal stability, the product should be stored in a cool, ventilated area away from direct sunlight and moisture. Containers must be kept tightly sealed when not in use to prevent hydrolysis or contamination.

Packing options include standard 200 kg drums, with customization available to meet specific logistical requirements. Our global distribution network ensures timely delivery to laboratories and manufacturing plants worldwide, supported by responsive customer service for all technical inquiries.