Description

3-Iodo-5-Methylbenzonitrile is a versatile halogenated aromatic nitrile building block of significant interest in advanced organic synthesis. Its molecular structure, featuring both an iodine substituent and a nitrile group on a methylbenzene core, makes it a valuable precursor for constructing complex molecules via 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 synthon in the research and development of novel drug candidates, particularly in constructing biaryl structures via Suzuki-Miyaura or other palladium-catalyzed cross-couplings.
• Agrochemical Synthesis: Used in the preparation of advanced herbicides, fungicides, and insecticides where the iodine atom allows for further functionalization to tune biological activity.
• Ligand and Catalyst Development: Acts as a precursor for synthesizing specialized ligands for transition metal catalysis or as a building block for functionalized materials.
• Material Science Research: Employed in the creation of organic electronic materials, liquid crystals, or polymers where the benzonitrile moiety can influence electronic properties and molecular ordering.
• Chemical Biology Probes: Useful for synthesizing tagged molecules or probes for studying biological systems due to the reactivity of the iodine handle.
• Custom Synthesis and Contract Manufacturing: A critical raw material for fine chemical manufacturers offering bespoke synthesis services to the life sciences sector.

Basic Information

Product Name	3-Iodo-5-Methylbenzonitrile
CAS No.	52107-71-8
Molecular Formula	C8H6IN
Molecular Weight	243.05 g/mol
Synonyms	5-Methyl-3-iodobenzonitrile; 3-Iodo-5-methylbenzenecarbonitrile; 3-Cyano-5-iodotoluene; Benzonitrile, 3-iodo-5-methyl-; 3-Iodo-5-methyl-benzonitrile; 52107-71-8; 5-Iodo-3-methylbenzonitrile (isomer check)
EINECS	Contact for details

Quality Control

Our 3-Iodo-5-Methylbenzonitrile is manufactured under a strict quality management system. Every batch undergoes comprehensive analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure identity, purity, and consistency. We provide a detailed Certificate of Analysis (COA) with each shipment, documenting all critical specifications. Our quality commitment ensures the material meets the high standards required for research and scale-up applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at room temperature (15-25°C). Keep away from heat, sparks, and open flame. Due to its light-sensitive nature, the container should be amber-colored or stored in a dark place.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Melting Point	Contact for details
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 20 ppm

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