Description

Acetonitrile, [(5-Methyl-3-Isoxazolyl)Thio]- (9Ci) is a specialized organosulfur compound featuring an isoxazole-thioacetonitrile structure. This chemical serves as a versatile building block and key intermediate in advanced organic synthesis, particularly for the development of heterocyclic compounds with potential biological activity. It is primarily utilized by pharmaceutical R&D laboratories and agrochemical innovators seeking to create novel active ingredients.

Application

• Pharmaceutical Intermediate: A critical synthon in the research and development of new drug candidates, especially those containing isoxazole or thioether moieties.
• Agrochemical Synthesis: Used in the production of advanced herbicides, fungicides, and insecticides where the unique heterocyclic structure imparts specific biological activity.
• Chemical Research: Serves as a specialized reagent in academic and industrial laboratories for constructing complex sulfur- and nitrogen-containing heterocycles.
• Material Science Precursor: Potential application in the synthesis of functionalized ligands for catalysis or advanced polymeric materials.

Basic Information

Product Name	Acetonitrile, [(5-Methyl-3-Isoxazolyl)Thio]- (9Ci)
CAS No.	66196-66-5
Molecular Formula	C7H8N2OS
Molecular Weight	168.21 g/mol
Synonyms	[(5-Methyl-1,2-oxazol-3-yl)sulfanyl]acetonitrile; (5-Methyl-3-isoxazolylthio)acetonitrile; 2-[(5-Methyl-3-isoxazolyl)thio]acetonitrile; Acetonitrile, [(5-methyl-3-isoxazolyl)thio]-; 3-[(Cyanomethyl)thio]-5-methylisoxazole
EINECS	Contact for details

Quality Control

Our production of Acetonitrile, [(5-Methyl-3-Isoxazolyl)Thio]- adheres to stringent internal quality standards to ensure batch-to-batch consistency and high purity for research and synthesis applications. Certificates of Analysis (COA) documenting identity, purity, and impurity profiles are provided with every shipment. We support custom synthesis and can tailor specifications to meet specific project requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at controlled room temperature (typically 15-25°C). Keep away from strong oxidizing agents and bases. For long-term storage, consider under an inert atmosphere to maintain stability.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid or solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 95.0% (Typical)
Water Content (KF)	≤ 0.5%

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