Description

Isoxazole, 4-Isothiocyanato-5-(1-Methylethyl)- (9Ci) is a specialized heterocyclic organic compound featuring a reactive isothiocyanate functional group. This compound serves as a critical chemical building block for the synthesis of more complex molecules, particularly in advanced research and development. It is primarily sought by pharmaceutical and agrochemical research organizations for creating novel active ingredients and intermediates.

Application

• Pharmaceutical Intermediate: A key precursor in the research and synthesis of novel drug candidates, particularly those targeting specific enzyme pathways.
• Agrochemical Research: Used in the development of new herbicides, fungicides, and insecticides, leveraging its reactive site for structural diversification.
• Chemical Biology Probe: Utilized in research to label or modify proteins and other biomolecules due to the reactivity of the isothiocyanate group with amines.
• Material Science: Serves as a monomer or cross-linking agent in the development of specialty polymers with unique thermal or chemical properties.
• Academic & Industrial R&D: Employed in organic synthesis laboratories for methodological studies and the construction of complex heterocyclic frameworks.

Basic Information

Product Name	Isoxazole, 4-Isothiocyanato-5-(1-Methylethyl)- (9Ci)
CAS No.	122686-03-7
Molecular Formula	C7H8N2OS
Molecular Weight	168.22 g/mol
Synonyms	4-Isothiocyanato-5-isopropylisoxazole; 5-Isopropyl-4-isothiocyanatoisoxazole; 4-Isothiocyanato-5-(propan-2-yl)-1,2-oxazole; 122686-03-7; 4-Isothiocyanato-5-(1-methylethyl)isoxazole
EINECS	Contact for details

Quality Control

Our production of Isoxazole, 4-Isothiocyanato-5-(1-Methylethyl)- (9Ci) adheres to stringent internal quality standards to ensure batch-to-batch consistency and high purity for research applications. Each lot is characterized using advanced analytical techniques including HPLC, GC, NMR, and IR spectroscopy. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with every shipment to support your quality assurance protocols.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place. For long-term storage, maintain at temperatures between 2°C and 8°C under an inert atmosphere. The compound is 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)	≥ 97.0%
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.