Description

2,1,3-Benzothiadiazol-4-Yl Isothiocyanate is a specialized heterocyclic building block featuring both benzothiadiazole and isothiocyanate functional groups. This compound is valued for its role as a key intermediate in the synthesis of advanced materials and functional molecules. It is primarily sought by researchers and manufacturers in the agrochemical, pharmaceutical, and materials science sectors for developing novel compounds with specific electronic or biological properties.

Application

• Agrochemical Intermediate: A crucial precursor for synthesizing novel fungicides, herbicides, and insecticides that target specific biological pathways.
• Pharmaceutical Research: Used in medicinal chemistry for the development of potential drug candidates, particularly those targeting enzymes or receptors where the benzothiadiazole scaffold is active.
• Functional Material Synthesis: Serves as a building block for creating organic semiconductors, dyes, and fluorescent probes used in OLEDs, sensors, and imaging applications.
• Chemical Biology Probes: The reactive isothiocyanate group allows for covalent labeling of proteins or other biomolecules, useful in probe and assay development.
• Polymer Modification: Can be used to introduce benzothiadiazole units into polymer chains to alter electronic properties for advanced material applications.

Basic Information

Product Name	2,1,3-Benzothiadiazol-4-Yl Isothiocyanate
CAS No.	109029-21-2
Molecular Formula	C7H3N3S2
Molecular Weight	193.25 g/mol
Synonyms	4-Isothiocyanatobenzo[c][1,2,5]thiadiazole; Benzo[c][1,2,5]thiadiazol-4-yl isothiocyanate; 1,2,5-Thiadiazolo[3,4-c]benzene-4-isothiocyanate; 4-Isothiocyanato-2,1,3-benzothiadiazole; BT-ITC; Benzothiadiazole-4-isothiocyanate
EINECS	Contact for details

Quality Control

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

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.

Specification

Item	Specification
Appearance	Yellow to orange crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Heavy Metals	< 20 ppm
Residual Solvents (GC)	Meets ICH guidelines

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