Description

Isoxazole-3-Carbonitrile is a versatile heterocyclic building block with a nitrile functional group attached to the isoxazole core. This compound is valued for its role as a key synthetic intermediate in the development of complex molecules, particularly in pharmaceutical and agrochemical research. It is primarily sought after by R&D chemists and process development scientists working on novel active ingredients, functional materials, and specialty fine chemicals.

Application

• Pharmaceutical Intermediate: A crucial precursor in the synthesis of potential drug candidates, especially those targeting central nervous system (CNS) disorders, anti-inflammatory agents, and antimicrobials.
• Agrochemical Synthesis: Used in the research and development of novel herbicides, fungicides, and insecticides, leveraging the bioactivity of the isoxazole scaffold.
• Material Science Research: Serves as a building block for creating specialized polymers, liquid crystals, or organic electronic materials due to its rigid heterocyclic structure.
• Chemical Biology & Probe Development: Employed in the design and synthesis of molecular probes and enzyme inhibitors for biochemical research and diagnostic applications.
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for the production of bespoke compounds and advanced intermediates.

Basic Information

Product Name	Isoxazole-3-Carbonitrile
CAS No.	68776-57-8
Molecular Formula	C4H2N2O
Molecular Weight	94.07 g/mol
Synonyms	3-Cyanoisoxazole; 3-Isoxazolecarbonitrile; Isoxazole-3-carbonitrile; 1,2-Oxazole-3-carbonitrile; 3-CN-Isoxazole; 68776-57-8; 3-Isoxazolyl cyanide
EINECS	Contact for details

Quality Control

Our Isoxazole-3-Carbonitrile is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including HPLC for purity and identity confirmation via IR and NMR spectroscopy, to ensure it meets the high standards required for research and development. A Certificate of Analysis (COA) detailing all specifications and test results is provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at controlled room temperature (15-25°C). Keep away from strong oxidizing agents and strong bases.

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%

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