Description

Isocyanoacetylene CAS NO 66723-45-3 is a highly reactive and versatile small molecule building block containing both an isocyano and an acetylene functional group. This unique bifunctional structure makes it a critical intermediate for synthesizing complex heterocyclic compounds and functional materials. It is primarily sought after by research chemists and process development scientists in the pharmaceutical, agrochemical, and advanced materials sectors for constructing novel molecular scaffolds.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of nitrogen-containing heterocycles like pyrroles, pyrazoles, and imidazoles for drug discovery programs.
• Agrochemical Synthesis: Used to build active ingredients for crop protection agents, leveraging its ability to introduce both nitrogen and linear carbon chains.
• Material Science Research: Serves as a monomer or cross-linking agent in the development of novel polymers and conductive organic materials.
• Chemical Biology Probes: Utilized in click chemistry and bioorthogonal labeling strategies due to the reactivity of its functional groups.
• Ligand Synthesis: Building block for creating specialized ligands used in catalysis and metal-organic frameworks (MOFs).
• Academic & R&D: Fundamental reagent for methodological development in organic synthesis and reaction mechanism studies.

Basic Information

Product Name	Isocyanoacetylene
CAS No.	66723-45-3
Molecular Formula	C3HN
Molecular Weight	67.05 g/mol
Synonyms	Isocyanoethyne; Ethynyl isocyanide; 1-Isocyanoethylene; Acetylene, isocyano-; Isocyanide, ethynyl-
EINECS	Contact for details

Quality Control

Our Isocyanoacetylene is produced and handled under stringent quality protocols to ensure batch-to-batch consistency and purity for research and development applications. Each lot is analyzed using advanced spectroscopic and chromatographic techniques. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with every shipment to support your quality assurance requirements.

Storage

Preserve in a tightly closed container, protected from light. Due to its highly volatile and easily oxidized nature, this material should be stored under an inert atmosphere (e.g., nitrogen or argon) at recommended temperatures between 2°C and 8°C. Keep the container in a cool, well-ventilated place, away from heat and ignition sources.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (GC)	≥ 95.0%
Water Content (KF)	≤ 0.5%

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