Description

5-Iodo-2-(Trifluoromethyl)Benzonitrile is a versatile and highly functionalized aromatic building block, distinguished by its trifluoromethyl and iodo substituents. This compound is of significant value in advanced organic synthesis, particularly for its role in cross-coupling reactions and as a precursor for complex fluorinated molecules. It is primarily sought after by research and development teams in the pharmaceutical and agrochemical industries for the creation of novel active ingredients and specialty materials.

Application

• Pharmaceutical Intermediate: A key synthon in the development of active pharmaceutical ingredients (APIs), especially for candidates containing trifluoromethyl groups which enhance metabolic stability and bioavailability.
• Agrochemical Synthesis: Used in the research and production of advanced herbicides, fungicides, and insecticides, where the fluorine and iodine atoms contribute to efficacy and environmental persistence.
• Material Science Research: Serves as a precursor for liquid crystals, organic semiconductors, and other functional materials requiring precise electronic properties.
• Cross-Coupling Reactions: The iodine atom makes it an excellent substrate for palladium-catalyzed reactions like Suzuki, Sonogashira, and Heck couplings, enabling rapid diversification of molecular scaffolds.
• Fluorine Chemistry: An essential building block for introducing the trifluoromethyl group into complex molecules, a common strategy in modern medicinal and agrochemistry.
• Chemical Biology Probes: Used in the synthesis of labeled compounds and molecular probes for biochemical and diagnostic research applications.

Basic Information

Item	Detail
Product Name	5-Iodo-2-(Trifluoromethyl)Benzonitrile
CAS No.	1261622-39-2
Molecular Formula	C8H3F3IN
Molecular Weight	297.02 g/mol
Synonyms	2-(Trifluoromethyl)-5-iodobenzonitrile; 5-Iodo-α,α,α-trifluoro-o-tolunitrile; 2-Cyano-4-iodobenzotrifluoride; 4-Iodo-2-(trifluoromethyl)benzonitrile; 2-Trifluoromethyl-5-iodobenzonitrile; Benzonitrile, 5-iodo-2-(trifluoromethyl)-; 1261622-39-2
EINECS	Contact for details

Quality Control

Our production of 5-Iodo-2-(Trifluoromethyl)Benzonitrile adheres to stringent quality management protocols. Every batch undergoes comprehensive analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure high purity and consistent lot-to-lot performance. Certificates of Analysis (COA) detailing all specifications are provided and can be tailored to meet specific customer or regulatory requirements.

Storage

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

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.