Description

2,1,3-Benzoxadiazole-5-Carbonyl Chloride, 3-Oxide (9Ci) is a specialized heterocyclic building block and reactive intermediate of significant interest in advanced organic synthesis. Its core value lies in the carbonyl chloride (acid chloride) functionality, which enables efficient amide bond formation and other nucleophilic acyl substitution reactions under mild conditions. This compound is primarily needed by pharmaceutical research and agrochemical development teams for constructing complex molecules, particularly in medicinal chemistry for creating novel active ingredients.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of novel drug candidates, particularly in the development of heterocyclic active pharmaceutical ingredients (APIs).
• Agrochemical Synthesis: Used in the research and production of advanced pesticides and herbicides, where the benzoxadiazole scaffold can confer specific biological activity.
• Material Science Research: Serves as a precursor for functional polymers, dyes, and photoactive materials due to its conjugated heterocyclic system.
• Bioconjugation & Probe Development: The reactive acid chloride group is utilized for labeling biomolecules (proteins, peptides) and synthesizing fluorescent or diagnostic probes.
• Academic & Contract Research: Essential reagent for methodological development in organic chemistry and for exploring new reaction pathways in heterocyclic chemistry.
• Ligand & Catalyst Preparation: Used to synthesize specialized ligands for metal complexes and catalysts in asymmetric synthesis.

Basic Information

Product Name	2,1,3-Benzoxadiazole-5-Carbonyl Chloride, 3-Oxide (9Ci)
CAS No.	74221-41-3
Molecular Formula	C7H3ClN2O3
Molecular Weight	198.56 g/mol
Synonyms	5-(Chlorocarbonyl)-2,1,3-benzoxadiazole 1-oxide; Benzofurazan-5-carbonyl chloride 1-oxide; 2,1,3-Benzoxadiazole-5-carbonyl chloride N-oxide; 1-Oxido-2,1,3-benzoxadiazol-5-yl carbonyl chloride; 5-Carboxybenzofurazan-1-oxide chloride; 1-Hydroxy-2,1,3-benzoxadiazole-5-carbonyl chloride
EINECS	Contact for details

Quality Control

Our 2,1,3-Benzoxadiazole-5-Carbonyl Chloride, 3-Oxide is produced under strict quality management protocols. Each batch undergoes rigorous analytical testing including HPLC, NMR, and IR spectroscopy to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all critical specifications. Our quality systems are designed to support cGMP and ISO standards for research and development applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at a controlled room temperature (15-25°C). This product is hygroscopic (moisture-sensitive) and should be handled under an inert atmosphere (e.g., nitrogen or argon) to prevent decomposition. Keep away from strong acids, bases, and oxidizing agents.

Specification

Item	Specification
Appearance	Off-white to light yellow crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 1.0%
Solubility	Soluble in common organic solvents (DMF, THF, DCM)

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