Description

2,1-Benzisoxazole-3-Carbonyl Chloride (9Ci) is a highly reactive and versatile acyl chloride derivative, serving as a critical building block in advanced organic synthesis. Its primary value lies in its ability to efficiently introduce the benzisoxazole-carbonyl moiety, a privileged scaffold in medicinal chemistry, into target molecules. This compound is essential for researchers and process chemists in the pharmaceutical and agrochemical industries developing novel active ingredients, particularly for creating amide and ester derivatives with potential biological activity.

Application

• Pharmaceutical Intermediate: Key reagent for the synthesis of novel drug candidates, especially those targeting the central nervous system (CNS).
• Agrochemical Synthesis: Building block for developing new herbicides, fungicides, and insecticides with enhanced efficacy.
• Material Science Research: Used in the creation of specialized polymers and functional organic materials.
• Peptide Mimetics: Facilitates the incorporation of heterocyclic structures into peptide backbones to modulate stability and bioavailability.
• Chemical Biology Probes: Enables the labeling and study of biological targets and pathways.
• Custom Synthesis & Contract Manufacturing: A crucial starting material for bespoke chemical production and scale-up services.

Basic Information

Product Name	2,1-Benzisoxazole-3-Carbonyl Chloride (9Ci)
CAS No.	535992-89-3
Molecular Formula	C8H4ClNO2
Molecular Weight	181.58 g/mol
Synonyms	1,2-Benzisoxazole-3-carbonyl chloride; Benzisoxazole-3-carbonyl chloride; 3-Carboxybenzisoxazole chloride; 2,1-Benzoxazole-3-carbonyl chloride; 3-Chlorocarbonyl-1,2-benzisoxazole; 1,2-Benzisoxazole-3-carboxylic acid chloride
EINECS	Contact for details

Quality Control

Our 2,1-Benzisoxazole-3-Carbonyl Chloride (9Ci) is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC for purity and identity confirmation via FT-IR and NMR, to ensure it meets the high standards required for research and process chemistry. A comprehensive Certificate of Analysis (COA) detailing purity, assay, and impurity profiles is provided with every shipment to guarantee traceability and consistency.

Storage

Preserve in a tightly closed container, protected from light. Due to its hygroscopic (moisture-sensitive) nature and reactivity, store under an inert atmosphere (e.g., nitrogen or argon) in a cool, dry, and well-ventilated place. Recommended storage temperature is 2-8°C for long-term stability. Keep away from strong acids, bases, and oxidizing agents.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Assay	≥ 95.0%
Water Content (KF)	≤ 0.5%

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