Description

3-Isoxazolecarbonylisocyanate(9Ci) is a specialized heterocyclic isocyanate derivative, serving as a critical building block in advanced organic synthesis. Its core value lies in its highly reactive isocyanate functional group, which enables the efficient construction of complex molecular architectures, particularly in the development of novel pharmaceuticals and agrochemicals. This compound is essential for research chemists and process development scientists in the pharmaceutical, agrochemical, and fine chemical industries who require high-purity intermediates for synthesizing active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of novel drug candidates, particularly in medicinal chemistry programs targeting heterocyclic scaffolds.
• Agrochemical Synthesis: Used in the research and development of new pesticides, herbicides, and fungicides, leveraging its reactive site for creating bioactive molecules.
• Polymer Chemistry: Acts as a monomer or cross-linking agent in the production of specialty polyurethanes and polyisocyanurates with tailored properties.
• Chemical Research: A versatile reagent in academic and industrial R&D for exploring new reactions and synthesizing complex isoxazole-containing compounds.
• Material Science: Employed in the surface modification of materials and the creation of advanced coatings and adhesives.

Basic Information

Product Name	3-Isoxazolecarbonylisocyanate(9Ci)
CAS No.	38027-53-1
Molecular Formula	C5H2N2O3
Molecular Weight	138.08 g/mol
Synonyms	3-Isoxazolecarbonyl isocyanate; 3-Isoxazolecarboxylic acid isocyanate; 3-Isoxazolylcarbonyl isocyanate; Isocyanic acid 3-isoxazolyl ester; 1,3-Oxazole-5-carbonyl isocyanate; 5-Isoxazolecarbonyl isocyanate; Isoxazole-3-carbonyl isocyanate; 3-Carbamoylisoxazole isocyanate (non-IUPAC)
EINECS	Contact for details

Quality Control

Every batch of 3-Isoxazolecarbonylisocyanate(9Ci) is manufactured and tested under strict quality management systems to ensure consistency and reliability for your critical applications. Our products undergo rigorous quality testing, including advanced chromatographic and spectroscopic methods, to ensure compliance with industry standards and customer specifications. Certificates of Analysis (COA) detailing purity, identity, and impurity profiles are 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). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation from atmospheric moisture.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid or solid
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%

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