Description

1-(Trifluoromethyl)-3-Isocyanato-5-Methoxybenzene is a specialized aromatic isocyanate building block featuring both a reactive isocyanate group and a trifluoromethyl substituent. This unique molecular structure is engineered to impart enhanced chemical stability, lipophilicity, and metabolic resistance to advanced materials and active compounds. It is a critical intermediate for researchers and manufacturers in the pharmaceutical and agrochemical sectors seeking to develop novel products with improved performance characteristics.

Application

• Pharmaceutical Intermediate: A key building block for the synthesis of active pharmaceutical ingredients (APIs), particularly in the development of drugs targeting the central nervous system, anti-inflammatory agents, and enzyme inhibitors where the trifluoromethyl group is a critical pharmacophore.
• Agrochemical Synthesis: Used in the production of advanced herbicides, fungicides, and insecticides, where the compound contributes to enhanced biological activity, environmental stability, and rainfastness of the final product.
• Polymer & Material Science: Serves as a monomer or cross-linking agent in the synthesis of high-performance polyurethanes, coatings, and specialty polymers that require chemical resistance, durability, and specific surface properties.
• Liquid Crystal & OLED Materials: Incorporated into the molecular structure of electronic display materials to modify dielectric anisotropy, viscosity, and thermal stability.
• Chemical Research & Development: An essential reagent for medicinal chemistry and process chemistry R&D, enabling the exploration of new chemical entities and synthetic pathways.
• Dye & Pigment Intermediate: Used in the synthesis of specialized dyes and pigments where the trifluoromethyl group alters light absorption and color fastness properties.

Basic Information

Product Name	1-(Trifluoromethyl)-3-Isocyanato-5-Methoxybenzene
CAS No.	918525-00-5
Molecular Formula	C9H4F3NO2
Molecular Weight	215.13 g/mol
Synonyms	3-Isocyanato-5-methoxy-α,α,α-trifluorotoluene; 5-Methoxy-3-(trifluoromethyl)phenyl isocyanate; 3-Isocyanato-5-methoxybenzotrifluoride; 5-Methoxy-α,α,α-trifluoro-m-tolyl isocyanate; m-Tolyl isocyanate, 5-methoxy-α,α,α-trifluoro-; 1-Methoxy-3-isocyanato-5-(trifluoromethyl)benzene; 3-(Trifluoromethyl)-5-methoxyphenyl isocyanate
EINECS	Contact for details

Quality Control

Our production of 1-(Trifluoromethyl)-3-Isocyanato-5-Methoxybenzene adheres to stringent quality management protocols. Every batch undergoes comprehensive analytical testing, including HPLC, GC, and NMR, to ensure high purity and consistency. Certificates of Analysis (COA) detailing identity, assay, and impurity profiles are provided with each shipment to support your quality assurance and regulatory compliance needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at a controlled room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature and reactive isocyanate group, the container must be kept tightly sealed under a dry inert atmosphere (e.g., nitrogen or argon) after opening to prevent moisture absorption and polymerization. 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)	≤ 0.1%
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.