Description

Benzonitrile, 4-Chloro-3-Fluoro-5-(Trifluoromethyl)- CAS NO 1046447-04-4 is a highly functionalized aromatic nitrile derivative, distinguished by its unique halogen and trifluoromethyl substitution pattern. This compound serves as a critical advanced pharmaceutical intermediate (API) and a versatile building block in modern synthetic chemistry. It is primarily needed by R&D chemists and process development teams in the pharmaceutical, agrochemical, and material science industries for constructing complex molecules.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of active pharmaceutical ingredients (APIs), particularly for molecules targeting central nervous system (CNS) disorders and oncology.
• Agrochemical Synthesis: Building block for novel herbicides, fungicides, and insecticides, leveraging the bioactivity of the trifluoromethyl and halogen groups.
• Liquid Crystal & OLED Materials: Used in the development of high-performance electronic display components and organic light-emitting diodes due to its stable, aromatic core and fluorine content.
• Polymer Modification: Serves as a monomer or cross-linking agent for creating specialty polymers with enhanced chemical resistance and thermal stability.
• Chemical Research & Development: A valuable scaffold in medicinal chemistry for structure-activity relationship (SAR) studies and library synthesis.
• Fluorinated Compound Production: Intermediate for further functionalization to create other complex fluorinated fine chemicals.

Basic Information

Product Name	Benzonitrile, 4-Chloro-3-Fluoro-5-(Trifluoromethyl)-
CAS No.	1046447-04-4
Molecular Formula	C8H2ClF4N
Molecular Weight	223.56 g/mol
Synonyms	4-Chloro-3-fluoro-5-(trifluoromethyl)benzonitrile; 3-Fluoro-4-chloro-5-(trifluoromethyl)benzonitrile; 2-Chloro-6-fluoro-4-(trifluoromethyl)benzonitrile; 5-(Trifluoromethyl)-4-chloro-3-fluorobenzonitrile; Benzonitrile, 4-chloro-3-fluoro-5-(trifluoromethyl)-; 4-Chloro-3-fluoro-α,α,α-trifluoro-p-toluonitrile; 1-Cyano-4-chloro-3-fluoro-5-(trifluoromethyl)benzene
EINECS	Contact for details

Quality Control

Our production of Benzonitrile, 4-Chloro-3-Fluoro-5-(Trifluoromethyl)- adheres to stringent quality protocols. Each batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and MS, to ensure high purity and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing purity, identity, and impurity profiles. Our quality management system is designed to meet the exacting standards required for GMP-grade intermediates and advanced chemical synthesis.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at room temperature (15-25°C). This compound is sensitive to strong bases and fluorides; keep away from incompatible materials. For long-term storage, consider under an inert atmosphere to maintain optimal purity.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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