Description

Isoxazole, 5-(Isothiocyanatomethyl)-3-Methyl- (9Ci) CAS NO 478016-02-3 is a specialized heterocyclic organic compound featuring a reactive isothiocyanate functional group. This compound serves as a critical versatile building block for synthesizing novel molecules in advanced research and development. It is primarily sought after by pharmaceutical, agrochemical, and material science industries for creating potential active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: Key precursor for the synthesis of novel drug candidates, particularly in medicinal chemistry programs targeting various therapeutic areas.
• Agrochemical Research: Building block for developing new pesticides, herbicides, or fungicides with novel modes of action.
• Chemical Biology Probe: Utilized in bioconjugation and labeling applications due to its reactive isothiocyanate group, which can bind to amines.
• Material Science: Monomer or cross-linking agent in the development of specialty polymers and advanced functional materials.
• Organic Synthesis: Versatile scaffold for constructing complex heterocyclic systems and libraries for high-throughput screening.

Basic Information

Product Name	Isoxazole, 5-(Isothiocyanatomethyl)-3-Methyl- (9Ci)
CAS No.	478016-02-3
Molecular Formula	C6H6N2OS
Molecular Weight	154.19 g/mol
Synonyms	3-Methyl-5-(isothiocyanatomethyl)isoxazole; 5-(Isothiocyanatomethyl)-3-methylisoxazole; 3-Methyl-5-isothiocyanatomethylisoxazole; (3-Methylisoxazol-5-yl)methyl isothiocyanate; Isothiocyanic acid, (3-methyl-5-isoxazolyl)methyl ester
EINECS	Contact for details

Quality Control

Our Isoxazole, 5-(Isothiocyanatomethyl)-3-Methyl- (9Ci) is produced under stringent quality management systems. Every batch undergoes comprehensive analytical testing, including HPLC, NMR, and IR spectroscopy, to ensure identity, purity, and consistency. Certificates of Analysis (COA) documenting all critical parameters are available upon request 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 at room temperature (15-25°C). This material is hygroscopic (moisture-sensitive); keep the container tightly sealed under an inert atmosphere if possible to prevent degradation.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Water Content (KF)	≤ 1.0%

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