Description

1,3-Benzodioxole,5-Isocyano-(9Ci) is a specialized heterocyclic building block featuring a reactive isocyano group fused to a benzodioxole scaffold. This compound is valued for its role as a versatile intermediate in advanced organic synthesis, enabling the construction of complex molecular architectures. It is primarily sought after by research and development chemists in the pharmaceutical and agrochemical industries for applications in medicinal chemistry and material science.

Application

• Pharmaceutical Intermediate: Serves as a key precursor in the synthesis of novel drug candidates, particularly those targeting central nervous system disorders.
• Agrochemical Synthesis: Used in the development of new active ingredients for crop protection products, leveraging its unique heterocyclic structure.
• Ligand and Catalyst Development: Employed in the preparation of specialized ligands for catalysis and metal-organic frameworks (MOFs).
• Material Science Research: Acts as a building block for creating novel polymers and functional organic materials with specific electronic properties.
• Chemical Biology Probes: Utilized in the design and synthesis of molecular probes for studying biological systems and enzyme activity.

Basic Information

Product Name	1,3-Benzodioxole,5-Isocyano-(9Ci)
CAS No.	165459-70-1
Molecular Formula	C8H5NO2
Molecular Weight	147.13 g/mol
Synonyms	5-Isocyanato-1,3-benzodioxole; 5-Isocyano-1,3-benzodioxole; 1,3-Benzodioxol-5-yl isocyanide; 5-Isocyanobenzodioxole; 1,3-Benzodioxole-5-isocyanide; 5-Isocyanato-benzo[1,3]dioxole; 5-Isocyano-benzo[1,3]dioxole
EINECS	Contact for details

Quality Control

Our 1,3-Benzodioxole,5-Isocyano-(9Ci) is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including HPLC, NMR, and FTIR, to ensure identity, purity, and consistency. A detailed Certificate of Analysis (COA) is provided with every shipment, confirming compliance with agreed specifications. We support cGMP and ISO 9001 standards for research and development materials.

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.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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