Description

2,2-Difluoro-5-isothiocyanatobenzo[D][1,3]dioxole is a specialized fluorinated heterocyclic building block containing a reactive isothiocyanate functional group. This compound is valued for its role as a key intermediate in the synthesis of advanced materials and bioactive molecules, where its unique structure imparts specific electronic and steric properties. It is primarily sought by researchers and process chemists in the pharmaceutical, agrochemical, and materials science industries for developing novel compounds and functionalized polymers.

Application

• Pharmaceutical Intermediate: A critical building block for synthesizing fluorinated drug candidates, particularly in oncology and CNS therapeutic areas.
• Agrochemical Synthesis: Used in the development of novel pesticides and herbicides, where the fluorine atoms enhance biological activity and environmental stability.
• Fluorescent Probe & Dye Chemistry: Serves as a precursor for creating specialized fluorescent tags and molecular probes used in bioimaging and diagnostics.
• Polymer & Material Science: Employed to functionalize polymers and advanced materials, introducing isothiocyanate groups for further cross-linking or conjugation.
• Chemical Biology Research: Utilized as a labeling reagent for proteins and other biomolecules due to its reactive -N=C=S group.
• Ligand & Catalyst Development: Acts as a precursor for creating novel ligands used in asymmetric catalysis and metal-organic frameworks (MOFs).

Basic Information

Product Name	2,2-Difluoro-5-isothiocyanatobenzo[D][1,3]dioxole
CAS No.	869085-97-2
Molecular Formula	C8H3F2NO2S
Molecular Weight	215.18 g/mol
Synonyms	5-Isothiocyanato-2,2-difluorobenzo[d][1,3]dioxole; 2,2-Difluorobenzo[1,3]dioxole-5-isothiocyanate; 2,2-Difluoro-1,3-benzodioxole-5-isothiocyanate; Benzo[d][1,3]dioxole, 2,2-difluoro-5-isothiocyanato-; 869085-97-2; DFBD-ITC; 2,2-DFBD-NCS
EINECS	Contact for details

Quality Control

Our 2,2-Difluoro-5-isothiocyanatobenzo[D][1,3]dioxole is manufactured under strict quality control protocols to ensure batch-to-batch consistency and high purity. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing key parameters such as assay, identity, and impurity profiles. Our quality systems are designed to meet the stringent requirements of research and development as well as scale-up processes.

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 crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
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.