Description

4-Iodo-2-(Trifluoromethyl)Benzonitrile is a versatile and high-value aromatic building block featuring both a reactive iodine substituent and a stable, electron-withdrawing trifluoromethyl group. This compound is critical for advanced organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and functional materials. It is primarily sought after by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and specialty chemical industries for constructing complex molecular architectures.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of active pharmaceutical ingredients (APIs), especially for candidates targeting central nervous system (CNS) disorders, oncology, and anti-inflammatory applications.
• Agrochemical Synthesis: Used in the research and development of novel herbicides, fungicides, and insecticides, where the trifluoromethyl group enhances biological activity and metabolic stability.
• Material Science: Serves as a monomer or building block for advanced polymers, liquid crystals, and organic electronic materials due to its unique electronic properties.
• Cross-Coupling Reactions: The iodine atom makes it an excellent substrate for palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Sonogashira, Heck) to form new carbon-carbon bonds.
• Ligand and Catalyst Development: Utilized in the preparation of specialized ligands for catalysis and metal-organic frameworks (MOFs).
• Fluorine Chemistry Research: A valuable compound for studying the effects of fluorine substitution on aromatic systems in medicinal and synthetic chemistry.

Basic Information

Product Name	4-Iodo-2-(Trifluoromethyl)Benzonitrile
CAS No.	101066-87-9
Molecular Formula	C8H3F3IN
Molecular Weight	297.02 g/mol
Synonyms	2-(Trifluoromethyl)-4-iodobenzonitrile; 4-Iodo-α,α,α-trifluoro-o-tolunitrile; 4-Iodo-2-trifluoromethylbenzonitrile; 2-Cyano-5-iodobenzotrifluoride; 4-Iodo-2-(trifluoromethyl)benzenecarbonitrile; Benzonitrile, 4-iodo-2-(trifluoromethyl)-; 4-Iodo-α,α,α-trifluoro-2-methylbenzonitrile
EINECS	Contact for details

Quality Control

Our 4-Iodo-2-(Trifluoromethyl)Benzonitrile is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all critical specifications. Our quality commitment supports compliance with cGMP and ICH guidelines for pharmaceutical development.

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. This material is light-sensitive (store away from light).

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Melting Point	Contact for details
Heavy Metals	< 10 ppm
Residual Solvents (GC)	Complies with ICH Q3C
Water Content (KF)	< 0.5%

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