Description

Hexamethyleneiminoacetonitrile is a specialized organic compound featuring a seven-membered azepane ring linked to an acetonitrile moiety. This unique structure makes it a valuable versatile building block in advanced organic synthesis, particularly for the construction of complex nitrogen-containing heterocycles and pharmaceutical intermediates. It is essential for research and development chemists in the pharmaceutical, agrochemical, and fine chemical industries who require high-purity, reliable synthetic precursors.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of active pharmaceutical ingredients (APIs), particularly those containing modified azepane or piperidine ring systems.
• Agrochemical Synthesis: Used in the development of novel herbicides, fungicides, and insecticides that require specific nitrogen-based heterocyclic scaffolds.
• Ligand and Catalyst Development: Serves as a starting material for creating specialized ligands used in asymmetric catalysis and metal-organic frameworks (MOFs).
• Fine Chemical Production: Employed in the manufacture of dyes, pigments, and other performance chemicals where its nitrile group offers a versatile handle for further functionalization.
• Academic and Industrial R&D: A crucial reagent for methodological development in organic chemistry and for exploring new chemical spaces in drug discovery programs.

Basic Information

Product Name	Hexamethyleneiminoacetonitrile
CAS No.	54714-50-0
Molecular Formula	C8H14N2
Molecular Weight	138.21 g/mol
Synonyms	1-(Cyanomethyl)azepane; 2-(Hexamethyleneimino)acetonitrile; 2-(Azepan-1-yl)acetonitrile; Azepane-1-acetonitrile; Hexamethyleniminoacetonitrile; 1-Azepanecarbonitrile; (Azepan-1-yl)acetonitrile; N-(Cyanomethyl)azepane
EINECS	Contact for details

Quality Control

Our Hexamethyleneiminoacetonitrile is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC, GC, and NMR, to ensure high chemical purity and identity confirmation. We provide full traceability and detailed Certificates of Analysis (COA) with every shipment. Our quality system is designed to meet the stringent requirements of cGMP and ISO standards for pharmaceutical and fine chemical applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). This product is hygroscopic (moisture-sensitive) and must be kept under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation. Keep away from heat, sparks, and open flame.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Related Substances (HPLC)	Total impurities ≤ 2.0%
Residue on Ignition	≤ 0.1%

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