Description

Benzonitrile, 2-Iodo-5-(Trifluoromethyl)- CAS NO 868166-20-5 is a high-purity, multi-functional halogenated aromatic nitrile building block. This compound is valued for its unique trifluoromethyl and iodine substituents, which are critical for modulating electronic properties and enabling selective cross-coupling reactions in advanced synthesis. It is primarily required by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and advanced materials sectors for creating novel active ingredients and functional molecules.

Application

• Pharmaceutical Intermediate: A key building block for the synthesis of active pharmaceutical ingredients (APIs), particularly those targeting central nervous system (CNS) disorders and oncology.
• Agrochemical Synthesis: Used in the research and development of novel herbicides, fungicides, and insecticides, leveraging the trifluoromethyl group for enhanced bioactivity and metabolic stability.
• Material Science Precursor: Serves as a monomer or functionalization agent in the development of specialty polymers, liquid crystals, and organic electronic materials.
• Cross-Coupling Reactions: The iodine substituent makes it an excellent substrate for palladium-catalyzed reactions like Suzuki, Sonogashira, and Heck couplings to construct complex biaryl systems.
• Fluorine Chemistry Research: An important reagent for studying the effects of fluorine substitution on molecular properties in medicinal and agrochemical chemistry.
• Chemical Synthesis Reference Standard: Used as a pure standard in analytical laboratories for method development and quality control.

Basic Information

Product Name	Benzonitrile, 2-Iodo-5-(Trifluoromethyl)-
CAS No.	868166-20-5
Molecular Formula	C8H3F3IN
Molecular Weight	297.02 g/mol
Synonyms	2-Iodo-5-(trifluoromethyl)benzonitrile; 5-(Trifluoromethyl)-2-iodobenzonitrile; 2-Cyano-4-(trifluoromethyl)iodobenzene; 2-Iodo-α,α,α-trifluoro-p-tolunitrile; 868166-20-5; Benzonitrile, 2-iodo-5-(trifluoromethyl)-; 2-Iodo-5-trifluoromethylbenzonitrile
EINECS	Contact for details

Quality Control

Our Benzonitrile, 2-Iodo-5-(Trifluoromethyl)- is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure high chemical purity and structural identity. Certificates of Analysis (COA) with detailed chromatographic data are provided for every shipment, supporting your quality assurance and regulatory documentation needs.

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. The container should be kept tightly sealed to prevent moisture absorption and potential decomposition.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
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.