Description

5-(Chloro-Difluoro-Methyl)-Isoxazole is a high-value fluorinated heterocyclic building block, identified by CAS number 116611-76-8. This compound is essential for introducing the unique physicochemical properties of the chlorodifluoromethyl group into complex molecular architectures. It is primarily sought after by research and development chemists in the pharmaceutical and agrochemical industries for the synthesis of novel active ingredients.

Application

• Pharmaceutical Intermediate: A key synthon for the development of new drug candidates, particularly in medicinal chemistry programs targeting enzyme inhibition.
• Agrochemical Synthesis: Used in the research and production of advanced pesticides and herbicides, where the difluoromethyl group can enhance metabolic stability and bioavailability.
• Material Science Research: Serves as a precursor for specialty chemicals and functional materials requiring specific fluorine-containing motifs.
• Organic Synthesis Building Block: Employed in cross-coupling reactions, cycloadditions, and other transformations to construct complex heterocyclic systems.

Basic Information

Product Name	5-(Chloro-Difluoro-Methyl)-Isoxazole
CAS No.	116611-76-8
Molecular Formula	C5H2ClF2NO
Molecular Weight	165.53 g/mol
Synonyms	5-(Chlorodifluoromethyl)isoxazole; 5-(Chlorodifluoromethyl)-1,2-oxazole; Isoxazole, 5-(chlorodifluoromethyl)-; 116611-76-8; 5-(Chloro-difluoro-methyl)isoxazole; 3-(Chlorodifluoromethyl)isoxazole (common numbering variation); Chlorodifluoromethylisoxazole
EINECS	Contact for details

Quality Control

Every batch of 5-(Chloro-Difluoro-Methyl)-Isoxazole is produced and analyzed under a strict quality management system. Our products undergo rigorous quality testing, including chromatographic purity analysis and identity confirmation, to ensure compliance with exacting R&D and process chemistry standards. A comprehensive Certificate of Analysis (COA) detailing purity, assay, and impurity profiles is provided with each shipment and is available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at controlled room temperature (15-25°C). Due to its hygroscopic nature, the container must be kept tightly sealed to exclude moisture. Keep away from incompatible materials such as strong bases and oxidizing agents.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 97.0%
Related Substances (HPLC)	Total impurities ≤ 3.0%
Water Content (KF)	≤ 0.5%

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