Description

4H-1-Benzopyran-4-One,3-Isothiocyanato-6-Methyl-2-Phenyl-(9Ci) CAS NO 231629-55-3 is a specialized heterocyclic organic compound featuring a benzopyranone core functionalized with an isothiocyanate group. This unique molecular architecture makes it a valuable high-purity chemical intermediate for advanced research and synthesis. It is primarily utilized by pharmaceutical R&D and agrochemical laboratories for developing novel active ingredients and exploring new chemical entities.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of novel drug candidates, particularly in medicinal chemistry programs targeting specific biological pathways.
• Agrochemical Research: Used in the development of new herbicides, fungicides, or plant growth regulators due to its reactive isothiocyanate moiety.
• Chemical Biology Probe: Serves as a precursor for creating activity-based probes to study enzyme function and protein interactions.
• Material Science Research: Potential monomer or cross-linking agent in the development of advanced polymers with specific optical or electronic properties.
• Academic & Industrial R&D: Fundamental research chemical for exploring new reactions and synthesizing complex heterocyclic libraries.

Basic Information

Product Name	4H-1-Benzopyran-4-One,3-Isothiocyanato-6-Methyl-2-Phenyl-(9Ci)
CAS No.	231629-55-3
Molecular Formula	C17H11NO2S
Molecular Weight	293.34 g/mol
Synonyms	3-Isothiocyanato-6-methyl-2-phenyl-4H-chromen-4-one; 3-Isothiocyanato-6-methyl-2-phenyl-4H-1-benzopyran-4-one; 2-Phenyl-6-methyl-3-isothiocyanatochromone; 6-Methyl-2-phenyl-3-isothiocyanato-4H-chromen-4-one; Chromone-3-isothiocyanate derivative
EINECS	Contact for details

Quality Control

We maintain a strict quality management system to ensure batch-to-batch consistency and high purity. Our products undergo rigorous quality testing, including advanced chromatographic and spectroscopic methods, to ensure compliance with exacting R&D and process chemistry standards. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with each shipment.

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	Off-white to light yellow crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Conforms to reference
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.