Description

2,1,3-Benzothiadiazol-4-Yl Isocyanate is a specialized heterocyclic isocyanate building block of significant interest in advanced material science and pharmaceutical research. Its core value lies in its unique molecular structure, which enables the synthesis of novel compounds with tailored electronic and biological properties. This high-purity intermediate is primarily sought by R&D chemists and process development scientists in the agrochemical, pharmaceutical, and organic electronics industries for creating new active ingredients and functional materials.

Application

• Agrochemical Intermediate: A key precursor for synthesizing novel herbicides, fungicides, and insecticides, leveraging the benzothiadiazole scaffold's bioactivity.
• Pharmaceutical Research: Used in medicinal chemistry for the development of potential drug candidates, particularly in areas requiring heterocyclic diversity.
• Organic Electronic Materials: Serves as a building block for electron-accepting units in the synthesis of polymers and small molecules for organic photovoltaics (OPVs) and light-emitting diodes (OLEDs).
• Ligand and Catalyst Development: Employed to create novel chelating ligands for catalysis and metal-organic frameworks (MOFs).
• Polymer Modification: Used to introduce the benzothiadiazole moiety into polymer backbones or side chains to modify optical and electronic properties.
• Fluorescent Probe Synthesis: Acts as a starting material for constructing sensitive fluorophores and chemosensors used in analytical chemistry and bioimaging.

Basic Information

Product Name	2,1,3-Benzothiadiazol-4-Yl Isocyanate
CAS No.	342411-14-7
Molecular Formula	C7H3N3OS
Molecular Weight	177.18 g/mol
Synonyms	4-Isocyanato-2,1,3-benzothiadiazole; Benzothiadiazol-4-yl isocyanate; 2,1,3-Benzothiadiazole-4-isocyanate; 4-Isocyanatobenzo[c][1,2,5]thiadiazole; Benzo[1,2,5]thiadiazol-4-yl isocyanate; BTD-NCO; 4-NCO-BTD
EINECS	Contact for details

Quality Control

Our 2,1,3-Benzothiadiazol-4-Yl Isocyanate is manufactured under strict quality management protocols. Each batch undergoes rigorous analytical testing, including HPLC for purity and identity confirmation via FT-IR and NMR spectroscopy, to ensure it meets the high standards required for research and development. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with every shipment to guarantee traceability and consistency.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at 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 by moisture.

Specification

Item	Specification
Appearance	Off-white to light yellow crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Water Content (KF)	≤ 0.5%

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