Description

6-(3-Iodophenyl)-6-Oxohexanenitrile is a specialized organic intermediate featuring a phenyl ring substituted with an iodine atom and a nitrile-terminated aliphatic keto chain. This unique molecular architecture makes it a valuable building block for the synthesis of more complex chemical entities, particularly in advanced pharmaceutical research and fine chemical manufacturing. It is primarily sought after by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and material science industries who require high-purity, structurally precise intermediates.

Application

• Pharmaceutical Intermediate: Serves as a key precursor in the synthesis of active pharmaceutical ingredients (APIs), especially those targeting central nervous system (CNS) disorders or possessing complex heterocyclic structures.
• Agrochemical Research: Used in the development of novel herbicides, fungicides, or plant growth regulators where the iodophenyl moiety can be leveraged for further functionalization.
• Ligand and Catalyst Synthesis: Acts as a starting material for creating specialized ligands used in transition metal catalysis or as a component in organocatalysts.
• Material Science Precursor: Employed in the research and development of advanced organic materials, such as liquid crystals or organic semiconductors, due to its polarizable iodine atom and functional groups.
• Chemical Biology Probes: Utilized in the design and synthesis of molecular probes for studying biological processes, where the iodine atom can serve as a handle for radiolabeling (e.g., with I-125).
• Custom Synthesis and Contract Manufacturing: A critical raw material for custom synthesis houses and CDMOs (Contract Development and Manufacturing Organizations) working on client-specific molecule libraries.

Basic Information

Product Name	6-(3-Iodophenyl)-6-Oxohexanenitrile
CAS No.	898767-95-8
Molecular Formula	C12H12INO
Molecular Weight	313.14 g/mol
Synonyms	6-Oxo-6-(3-iodophenyl)hexanenitrile; 3'-Iodo-δ-oxovalerophenone cyanide; 6-(3-Iodobenzoyl)capronitrile; 3-Iodobenzoylbutyronitrile (extended); ω-Cyano-3-iodobenzoylpropane; 5-Cyano-1-(3-iodophenyl)pentan-1-one; 6-(3-Iodophenyl)-6-oxohexanenitrile; 898767-95-8 (CAS Index Name)
EINECS	Contact for details

Quality Control

Every batch of 6-(3-Iodophenyl)-6-Oxohexanenitrile is manufactured and tested under a strict quality management system. Our products undergo rigorous quality testing, including advanced chromatographic and spectroscopic methods, to ensure compliance with industry standards and customer specifications. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with each shipment and is available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). Keep away from heat, sparks, and open flame. The compound is light-sensitive and should be handled under appropriate conditions to maintain stability.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Single Unknown Impurity (HPLC)	≤ 1.0%
Total Impurities (HPLC)	≤ 3.0%

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