Description

3,4-Difluorobenzoyl Isothiocyanate is a specialized fluorinated aromatic isothiocyanate derivative, serving as a critical building block in advanced organic synthesis. Its molecular structure, featuring both a reactive isothiocyanate group and difluoro substitution on the aromatic ring, makes it a valuable precursor for constructing complex heterocycles and functionalized molecules. This high-purity intermediate is essential for research and development in the pharmaceutical and agrochemical industries, particularly for creating novel active ingredients and advanced materials.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of novel drug candidates, especially in medicinal chemistry programs targeting kinase inhibitors and other biologically active molecules.
• Agrochemical Synthesis: Used in the development of next-generation herbicides, fungicides, and pesticides, leveraging the fluorine atoms for enhanced bioactivity and environmental stability.
• Heterocyclic Chemistry: A versatile reagent for constructing complex sulfur- and nitrogen-containing heterocycles, such as thiazoles and benzothiazines, via cycloaddition and condensation reactions.
• Material Science Research: Employed in the synthesis of functionalized polymers, liquid crystals, and advanced organic materials requiring specific fluorine-based electronic properties.
• Chemical Biology Probes: Useful for labeling and modifying biomolecules due to the high reactivity of the isothiocyanate group with amines, enabling the study of protein interactions and functions.

Basic Information

Product Name	3,4-Difluorobenzoyl Isothiocyanate
CAS No.	926249-80-1
Molecular Formula	C8H3F2NOS
Molecular Weight	199.18 g/mol
Synonyms	3,4-Difluorobenzoyl isothiocyanate; 3,4-Difluorobenzoic acid isothiocyanate; Isothiocyanic acid 3,4-difluorobenzoyl ester; (3,4-Difluorobenzoyl) isothiocyanate; 3,4-Difluorobenzoyl mustard oil; Benzoyl isothiocyanate, 3,4-difluoro-; 926249-80-1; 3,4-Difluorobenzoyl isosulfocyanate
EINECS	Contact for details

Quality Control

Our 3,4-Difluorobenzoyl Isothiocyanate is manufactured under strict quality management systems to ensure batch-to-batch consistency and high purity. Each lot undergoes comprehensive analytical testing, including HPLC, NMR, and FTIR, to confirm identity and purity. A Certificate of Analysis (COA) detailing all test results is provided with every shipment. We adhere to cGMP principles where applicable to support our customers in regulated research and development environments.

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. Keep away from heat, sparks, and open flame.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
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.