Description

3-Iodo-4-Methylbenzonitrile is a versatile halogenated aromatic nitrile building block of significant importance in advanced organic synthesis. Its molecular structure, featuring both an iodine substituent and a nitrile group, makes it a critical intermediate for constructing complex molecules through cross-coupling and functional group transformation reactions. This compound is primarily utilized by research chemists and process development scientists in the pharmaceutical, agrochemical, and material science industries for the development of new active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: Serves as a key precursor in the synthesis of active pharmaceutical ingredients (APIs), particularly for molecules requiring halogenated aromatic cores.
• Agrochemical Synthesis: Used in the research and development of novel herbicides, fungicides, and insecticides, where the iodine atom facilitates further derivatization.
• Material Science Research: Acts as a monomer or building block for the creation of specialized polymers, liquid crystals, and organic electronic materials.
• Cross-Coupling Reactions: An excellent substrate for palladium-catalyzed reactions like Suzuki, Sonogashira, and Heck couplings, enabling carbon-carbon bond formation.
• Ligand and Catalyst Development: Utilized in the preparation of novel ligands and organocatalysts for asymmetric synthesis.
• Chemical Biology Probes: Employed in the synthesis of molecular probes and tags for studying biological systems.

Basic Information

Item	Details
Product Name	3-Iodo-4-Methylbenzonitrile
CAS No.	42872-79-7
Molecular Formula	C8H6IN
Molecular Weight	243.05 g/mol
Synonyms	4-Methyl-3-iodobenzonitrile; 3-Iodo-p-tolunitrile; 3-Iodo-4-methylbenzenecarbonitrile; Benzonitrile, 3-iodo-4-methyl-; 3-Iodo-4-methyl-benzonitrile; 3-Iodo-4-methylbenzonitrile; 4-Cyano-2-iodotoluene
EINECS	Contact for details

Quality Control

Every batch of 3-Iodo-4-Methylbenzonitrile is manufactured and tested under a strict quality management system to ensure high purity, consistency, and traceability. Our products undergo rigorous analytical testing, including HPLC, GC, and NMR, to confirm identity and purity. A comprehensive Certificate of Analysis (COA) detailing all test results is provided with each shipment to support your quality assurance protocols.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at room temperature (15-25°C). Keep away from incompatible materials such as strong oxidizing agents and strong bases. The container should be kept tightly sealed to prevent moisture absorption.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Melting Point	Contact for details
Heavy Metals	< 20 ppm
Residual Solvents (GC)	Complies with ICH guidelines

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