Description

2-Isocyano-5-Chlorobenzotrifluoride is a specialized aromatic isocyanide building block featuring both a chloro and a trifluoromethyl substituent. This compound is valued for its unique reactivity profile, enabling the synthesis of complex heterocyclic and pharmaceutical intermediates. It is primarily sought after by research and development chemists in the agrochemical and pharmaceutical industries for constructing novel active ingredients.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of novel drug candidates, particularly in medicinal chemistry programs targeting new therapeutic agents.
• Agrochemical Synthesis: Used in the research and development of advanced pesticides, herbicides, and fungicides, leveraging the bioactivity of the isocyano and trifluoromethyl groups.
• Ligand Precursor in Catalysis: Serves as a precursor for the preparation of specialized isocyanide-based ligands used in transition metal catalysis.
• Heterocyclic Chemistry: Employed in multi-component reactions (MCRs) like the Ugi reaction to efficiently construct complex nitrogen-containing heterocycles.
• Material Science Research: Investigated as a monomer or functionalizing agent for creating novel polymers and functional materials with specific properties.

Basic Information

Product Name	2-Isocyano-5-Chlorobenzotrifluoride
CAS No.	2920-12-9
Molecular Formula	C8H3ClF3N
Molecular Weight	205.56 g/mol
Synonyms	5-Chloro-2-isocyanobenzotrifluoride; 2-Chloro-α,α,α-trifluoro-p-tolyl isocyanide; 2-Isocyanato-5-chlorobenzotrifluoride (common misnomer); 5-Chloro-α,α,α-trifluoro-o-tolyl isocyanide; 2-Chloro-5-(isocyanomethyl)benzotrifluoride (alternative interpretation); 2-Isocyano-5-chloro-α,α,α-trifluorotoluene; Benzene, 2-chloro-5-(isocyanomethyl)-1,1,1-trifluoro-
EINECS	Contact for details

Quality Control

Our 2-Isocyano-5-Chlorobenzotrifluoride is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including chromatographic purity analysis and structural confirmation, to ensure it meets the high standards required for research and process development. A Certificate of Analysis (COA) detailing specific results is provided with every shipment.

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 flames. Due to its light-sensitive nature, prolonged exposure to light should be avoided.

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.