Description

4-Iodo-3-(trifluoromethyl)benzonitrile is a versatile halogenated aromatic nitrile building block of significant interest in advanced organic synthesis. Its molecular structure, featuring iodine, trifluoromethyl, and nitrile functional groups, makes it a critical intermediate for constructing complex molecules with tailored electronic and steric properties. This compound is primarily utilized by research chemists and process development scientists in the pharmaceutical and agrochemical industries for applications such as cross-coupling reactions and the development of novel active ingredients.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of active pharmaceutical ingredients (APIs), particularly for candidates targeting central nervous system (CNS) disorders and oncology.
• Agrochemical Synthesis: Used in the research and development of novel herbicides, fungicides, and insecticides, leveraging the bioactivity-enhancing properties of the trifluoromethyl group.
• Material Science Research: Serves as a building block for creating advanced organic materials, including liquid crystals, organic semiconductors, and metal-organic frameworks (MOFs).
• Cross-Coupling Reactions: The iodine substituent makes it an excellent substrate for palladium-catalyzed reactions like Suzuki, Sonogashira, and Heck couplings to form biaryl and other complex structures.
• Fluorine Chemistry: An important reagent for introducing the trifluoromethyl moiety into target molecules, a common strategy in modern drug design to improve metabolic stability and membrane permeability.
• Ligand and Catalyst Development: Used to synthesize specialized ligands for catalysis and molecular recognition studies.

Basic Information

Product Name	4-Iodo-3-(trifluoromethyl)benzonitrile
CAS No.	161320-00-9
Molecular Formula	C8H3F3IN
Molecular Weight	312.97 g/mol
Synonyms	3-(Trifluoromethyl)-4-iodobenzonitrile; 4-Iodo-3-trifluoromethylbenzonitrile; 4-Iodo-α,α,α-trifluoro-m-toluonitrile; 2-Iodo-5-cyanobenzotrifluoride; 5-Cyano-2-iodobenzotrifluoride; Benzonitrile, 4-iodo-3-(trifluoromethyl)-; 161320-00-9
EINECS	Contact for details

Quality Control

Our 4-Iodo-3-(trifluoromethyl)benzonitrile is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and elemental analysis, to ensure high purity and batch-to-batch consistency. Certificates of Analysis (COA) with detailed specifications are provided and available upon request to support your quality assurance and regulatory documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed and under an inert atmosphere (e.g., nitrogen or argon) for long-term storage to prevent degradation.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
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.