Description

5-Isoxazolecarbonyl Chloride, 3-Chloro- (9Ci) is a versatile and reactive heterocyclic acid chloride derivative, serving as a critical building block in advanced organic synthesis. Its primary value lies in enabling the efficient introduction of the 3-chloro-5-isoxazolecarbonyl moiety, a key structural motif in the development of novel active compounds. This high-purity intermediate is essential for research and production chemists in the pharmaceutical and agrochemical industries, particularly for creating new active pharmaceutical ingredients (APIs) and crop protection agents.

Application

• Pharmaceutical Intermediate: A key synthon for the synthesis of novel drug candidates, especially in medicinal chemistry programs targeting enzyme inhibitors.
• Agrochemical Synthesis: Used in the research and development of next-generation herbicides, fungicides, and insecticides, leveraging the bioactive isoxazole core.
• Chemical Research & Development: Employed as a versatile acylating agent in academic and industrial R&D for constructing complex heterocyclic libraries.
• Material Science Precursor: Can be utilized in the synthesis of specialized polymers or ligands with unique electronic or binding properties.
• Peptide & Protein Modification: Acts as a coupling reagent or modifying agent for biochemical research applications.

Basic Information

Product Name	5-Isoxazolecarbonyl Chloride, 3-Chloro- (9Ci)
CAS No.	104164-45-6
Molecular Formula	C4H3Cl2NO2
Molecular Weight	176.98 g/mol
Synonyms	3-Chloro-5-isoxazolecarbonyl chloride; 3-Chloro-1,2-oxazole-5-carbonyl chloride; 3-Chloroisoxazole-5-carbonyl chloride; 3-Chloro-5-isoxazolecarboxylic acid chloride; 5-Carboxy-3-chloroisoxazole chloride; 3-Chloro-5-isoxazolylcarbonyl chloride
EINECS	Contact for details

Quality Control

Our 5-Isoxazolecarbonyl Chloride, 3-Chloro- (9Ci) is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including HPLC, NMR, and IR spectroscopy, to ensure high chemical purity and identity. Certificates of Analysis (COA) detailing all specifications are provided with every shipment to guarantee batch-to-batch consistency and traceability for your R&D and production needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation. Keep away from heat, open flames, and incompatible materials such as strong bases, alcohols, and amines.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%

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