Description

4,5-Isoxazoledicarbonitrile is a high-purity, versatile heterocyclic building block of significant interest in advanced organic synthesis. Its unique isoxazole core functionalized with two nitrile groups makes it a critical precursor for constructing complex molecular architectures. This compound is essential for research and development chemists in the pharmaceutical, agrochemical, and material science industries seeking to develop novel active ingredients and functional molecules.

Application

• Pharmaceutical Intermediate: Serves as a key synthon for the development of new drug candidates, particularly those targeting central nervous system (CNS) disorders, anti-inflammatory agents, and antimicrobials.
• Agrochemical Synthesis: Used in the research and production of advanced herbicides, fungicides, and insecticides, leveraging the bioactivity of the isoxazole moiety.
• Material Science Research: Acts as a monomer or cross-linking agent in the development of specialty polymers, coatings, and electronic materials with tailored properties.
• Ligand and Catalyst Development: Employed in organometallic chemistry to create novel chelating ligands for catalytic systems used in asymmetric synthesis.
• Chemical Biology Probe: Utilized in the design and synthesis of molecular probes for studying enzyme function and biological pathways.
• Dye and Pigment Intermediate: Functions as a precursor in the synthesis of heterocyclic dyes and organic pigments for high-performance applications.

Basic Information

Product Name	4,5-Isoxazoledicarbonitrile
CAS No.	1256633-32-5
Molecular Formula	C5H2N3O
Molecular Weight	120.09 g/mol
Synonyms	4,5-Dicyanoisoxazole; Isoxazole-4,5-dicarbonitrile; 1,2-Oxazole-4,5-dicarbonitrile; 4,5-Cyanoisoxazole; 4,5-Isoxazoledinitrile; 4,5-Dicyano-1,2-oxazole
EINECS	Contact for details

Quality Control

Our 4,5-Isoxazoledicarbonitrile is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC for purity and identity confirmation via FT-IR and NMR spectroscopy, to ensure it meets the high standards required for research and scale-up applications. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at a controlled room temperature (15-25°C). Keep away from heat, sparks, and open flame. The compound may be moisture-sensitive; keep the container tightly sealed in a dry environment.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Melting Point	Contact for details
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm

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