Description

1-Isocyano-3-Trifluoromethoxybenzene is a specialized aromatic isocyanide building block of significant interest in advanced organic synthesis. Its core value lies in the unique reactivity of the isocyano group combined with the electron-withdrawing and lipophilicity-enhancing properties of the trifluoromethoxy substituent. This compound is primarily needed by research and development chemists in the pharmaceutical and agrochemical industries for constructing complex heterocyclic scaffolds and functional molecules. Its application is critical for the discovery of novel bioactive compounds and functional materials.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of novel drug candidates, particularly for constructing heterocyclic cores prevalent in medicinal chemistry.
• Agrochemical Research: Used in the development of new pesticides and herbicides, where the trifluoromethoxy group can enhance biological activity and metabolic stability.
• Ligand Synthesis for Catalysis: Serves as a building block for creating specialized isocyanide-based ligands used in transition metal catalysis.
• Material Science: Employed in the research of advanced polymers and functional organic materials that require specific electronic properties.
• Multicomponent Reactions (MCRs): An ideal substrate for Passerini and Ugi-type reactions, enabling the rapid generation of molecular diversity libraries.

Basic Information

Product Name	1-Isocyano-3-Trifluoromethoxybenzene
CAS No.	1258405-84-3
Molecular Formula	C8H4F3NO
Molecular Weight	187.12 g/mol
Synonyms	3-(Trifluoromethoxy)phenyl isocyanide; m-(Trifluoromethoxy)phenyl isocyanide; 3-Isocyanophenyl trifluoromethyl ether; 1-Isocyano-3-(trifluoromethoxy)benzene; α-Isocyano-3-trifluoromethoxybenzene; 3-Trifluoromethoxyphenyl isonitrile
EINECS	Contact for details

Quality Control

Our 1-Isocyano-3-Trifluoromethoxybenzene is produced under strict quality management protocols to ensure batch-to-batch consistency and high purity suitable for research and development applications. Each lot is analyzed using advanced chromatographic and spectroscopic techniques. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with every shipment to support your quality assurance processes.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). Keep away from heat, sparks, and open flame. Due to its light-sensitive nature, containers should be kept in amber glass or opaque packaging during storage.

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.