Description

Isocyanatoethyne is a highly reactive, low molecular weight alkyne isocyanate, a versatile building block in advanced organic synthesis. Its unique structure, featuring both an isocyanate and a terminal alkyne group, makes it a critical precursor for constructing complex heterocycles and functional polymers. This compound is essential for researchers and manufacturers in the pharmaceutical, agrochemical, and specialty materials sectors seeking to develop novel active ingredients and high-performance polymers.

Application

• Pharmaceutical Intermediate: Serves as a key synthon for the construction of nitrogen-containing heterocycles, such as triazoles and oxazolidinones, which are core structures in many active pharmaceutical ingredients (APIs).
• Agrochemical Synthesis: Used in the development of novel herbicides, fungicides, and insecticides, where its reactive groups allow for the introduction of specific bioactivity.
• Polymer & Material Science: Acts as a monomer or cross-linking agent in the synthesis of specialty polyurethanes, polyisocyanurates, and other high-performance polymers with tailored thermal and mechanical properties.
• Click Chemistry Reagent: The alkyne moiety enables participation in copper-catalyzed azide-alkyne cycloaddition (CuAAC) reactions, facilitating efficient bioconjugation and material surface functionalization.
• Ligand & Catalyst Development: Employed in the synthesis of novel chelating ligands and organometallic catalysts for asymmetric synthesis and polymerization processes.

Basic Information

Product Name	Isocyanatoethyne
CAS No.	67723-39-1
Molecular Formula	C3HNO
Molecular Weight	67.05 g/mol
Synonyms	Ethynyl isocyanate; Isocyanatoacetylene; Acetylene isocyanate; 1-Isocyanatoethyne; Ethynylcarbylamine; Propargyl isocyanate (Note: This is a different isomer, but a common misnomer); 1-Isocyanoethyne
EINECS	Contact for details

Quality Control

Every batch of Isocyanatoethyne is produced and analyzed under stringent quality protocols to ensure consistency and purity for demanding synthetic applications. Our products undergo rigorous quality testing, including chromatographic purity analysis and functional group verification, to ensure compliance with industry standards. Certificates of Analysis (COA) detailing batch-specific results are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Due to its highly reactive and moisture-sensitive (hygroscopic) nature, this material must be stored under a dry, inert atmosphere (e.g., nitrogen or argon) in a cool, dry, and well-ventilated area. Recommended storage temperature is 2-8°C for extended stability. Keep away from heat, sparks, open flames, and incompatible materials such as water, alcohols, amines, and strong bases.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (GC or HPLC)	≥ 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.