Description

1,3-Benzoxathiole,2-Isocyanato-2-(Trifluoromethyl)-(9Ci) is a specialized, high-value heterocyclic building block containing both an isocyanate and a trifluoromethyl group. This compound is critical for the synthesis of advanced materials and pharmaceuticals, where its unique structure imparts desirable properties such as enhanced stability and bioactivity. It is primarily sought by research and development chemists in the agrochemical, pharmaceutical, and advanced polymer industries for creating novel active ingredients and functional materials.

Application

• Agrochemical Intermediate: A key precursor in the synthesis of novel herbicides, fungicides, and insecticides, leveraging the bioactivity-enhancing trifluoromethyl group.
• Pharmaceutical Building Block: Used in medicinal chemistry for the development of new drug candidates, particularly in areas requiring isocyanate-derived urea or carbamate linkages.
• Advanced Polymer Synthesis: Serves as a monomer or cross-linking agent for producing high-performance polymers, coatings, and adhesives with specific chemical resistance.
• Ligand and Catalyst Development: Employed in organometallic chemistry to create novel ligands for catalysis and material science applications.
• Chemical Research & Development: A versatile reagent for academic and industrial R&D focused on heterocyclic and fluorine chemistry.

Basic Information

Product Name	1,3-Benzoxathiole,2-Isocyanato-2-(Trifluoromethyl)-(9Ci)
CAS No.	159259-21-9
Molecular Formula	C9H4F3NO2S
Molecular Weight	247.19 g/mol
Synonyms	2-Isocyanato-2-(trifluoromethyl)-1,3-benzoxathiole; 2-(Trifluoromethyl)-1,3-benzoxathiol-2-yl isocyanate; 2-Isocyanato-2-(trifluoromethyl)-1,3-benzoxathiol; 1,3-Benzoxathiole, 2-isocyanato-2-(trifluoromethyl)-; 2-(Trifluoromethyl)benzo[d][1,3]oxathiol-2-yl isocyanate
EINECS	Contact for details

Quality Control

Our production of 1,3-Benzoxathiole,2-Isocyanato-2-(Trifluoromethyl)-(9Ci) adheres to stringent internal quality standards to ensure batch-to-batch consistency and high purity for research and industrial use. All materials are fully characterized using advanced analytical techniques including NMR, HPLC, and GC-MS. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles 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 a controlled room temperature (15-25°C). Due to its hygroscopic and moisture-sensitive nature, the container must be kept sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation.

Specification

Item	Specification
Appearance	White to off-white crystalline solid or powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%

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