Description

2-Trifluoromethylbenzylisocyanide is a versatile and highly reactive organic building block, specifically an isocyanide derivative bearing a trifluoromethylbenzyl group. Its value lies in its role as a critical reagent in multicomponent reactions, such as the Ugi and Passerini reactions, enabling the efficient synthesis of complex heterocycles and peptidomimetics. This compound is essential for researchers and manufacturers in the pharmaceutical, agrochemical, and advanced materials sectors who require high-purity intermediates for drug discovery and specialty chemical production.

Application

• Pharmaceutical Intermediate: A key building block for the synthesis of novel drug candidates, particularly in medicinal chemistry for creating diverse compound libraries.
• Agrochemical Synthesis: Used in the development of advanced pesticides and herbicides, leveraging the stability imparted by the trifluoromethyl group.
• Material Science Research: Employed in the creation of functional polymers and specialty materials with unique surface properties.
• Multicomponent Reaction (MCR) Chemistry: Serves as a fundamental reactant in Ugi, Passerini, and related isocyanide-based multicomponent reactions to generate complex molecular architectures efficiently.
• Ligand and Catalyst Development: Utilized as a precursor for synthesizing specialized ligands and organocatalysts used in asymmetric synthesis.
• Chemical Biology Probes: Acts as a tagging or conjugation agent in the development of probes for studying biological processes.

Basic Information

Product Name	2-Trifluoromethylbenzylisocyanide
CAS No.	602261-94-9
Molecular Formula	C9H6F3N
Molecular Weight	185.15 g/mol
Synonyms	1-Isocyano-2-(trifluoromethyl)benzene; α-Isocyano-α,α,α-trifluoro-o-xylene; 2-(Trifluoromethyl)benzyl isocyanide; (2-(Trifluoromethyl)phenyl)methanyl isocyanide; o-Trifluoromethylbenzyl isocyanide; 2-Trifluoromethylphenyl isocyanomethane; Benzene, 1-isocyano-2-(trifluoromethyl)-; 2-(Trifluoromethyl)benzyl isonitrile
EINECS	Contact for details

Quality Control

Our 2-Trifluoromethylbenzylisocyanide is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and FTIR, to ensure high purity and consistency. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with each shipment to support your R&D and production requirements.

Storage

Preserve in a tightly closed container, protected from light. Store under an inert atmosphere (e.g., nitrogen or argon) in a cool, dry, and well-ventilated place. Recommended storage temperature is 2-8°C to minimize volatility and degradation. Keep away from heat, sparks, and open flame.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
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.