Description

5-Isocyano-2-Chlorobenzotrifluoride is a versatile and highly reactive aromatic isocyanate building block, primarily valued for its trifluoromethyl and chloro substituents which impart unique electronic and steric properties. This compound is essential for the synthesis of advanced heterocyclic systems and functional materials, offering significant advantages in tuning molecular properties. It is a critical intermediate for researchers and manufacturers in the pharmaceutical, agrochemical, and specialty chemical industries seeking to develop novel active ingredients and performance materials.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of biologically active molecules, including potential kinase inhibitors and antimicrobial agents.
• Agrochemical Synthesis: Used in the development of novel herbicides, fungicides, and insecticides, leveraging the stability of the trifluoromethyl group.
• Ligand and Catalyst Development: Serves as a precursor for creating specialized isocyanide ligands used in transition metal catalysis and organometallic chemistry.
• Material Science Research: Employed in the synthesis of functional polymers, dyes, and organic electronic materials due to its electron-withdrawing groups.
• Chemical Biology Probes: Useful for synthesizing activity-based probes and tags for studying biological processes.
• Cross-Coupling Reactions: Acts as a substrate in palladium-catalyzed reactions for constructing complex molecular architectures.

Basic Information

Product Name	5-Isocyano-2-Chlorobenzotrifluoride
CAS No.	220145-77-7
Molecular Formula	C8H3ClF3NO
Molecular Weight	221.56 g/mol
Synonyms	2-Chloro-5-isocyanobenzotrifluoride; 2-Chloro-α,α,α-trifluoro-5-isocyanotoluene; 2-Chloro-α,α,α-trifluoro-p-tolyl isocyanide; 5-Isocyano-2-chloro-α,α,α-trifluorotoluene; 1-Chloro-4-isocyano-2-(trifluoromethyl)benzene; 2-Chloro-5-isocyano-1-(trifluoromethyl)benzene; 5-Chloro-2-isocyanobenzotrifluoride (isomer); 220145-77-7 (CAS)
EINECS	Contact for details

Quality Control

Our 5-Isocyano-2-Chlorobenzotrifluoride is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC, GC, NMR, and FTIR, to ensure high purity and consistent performance. A detailed Certificate of Analysis (COA) is provided with every shipment, confirming identity, purity, and impurity profiles. We adhere to cGMP principles where applicable to support our customers in regulated industries.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C/59-77°F). Due to its highly volatile and light-sensitive nature, containers should be kept sealed and handled under an inert atmosphere (e.g., nitrogen) for long-term storage to prevent degradation and moisture absorption.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Related Substances (HPLC)	Individual impurity ≤ 1.0%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.