Description

3,5-Difluorobenzoyl Isothiocyanate is a versatile and highly reactive fluorinated aromatic building block, essential for the synthesis of complex heterocyclic compounds. Its unique bifunctional isothiocyanate and benzoyl group structure makes it a critical intermediate for introducing specific fluorinated pharmacophores into target molecules. This compound is primarily sought after by research and development chemists in the pharmaceutical and agrochemical industries for creating novel active ingredients and advanced materials.

Application

• Pharmaceutical Intermediate: Key precursor for the synthesis of fluorinated thiazole, benzothiazole, and thiourea derivatives with potential biological activity.
• Agrochemical Research: Used in developing novel herbicides, fungicides, and insecticides where the difluorobenzoyl moiety enhances lipophilicity and metabolic stability.
• Material Science: Serves as a monomer or cross-linking agent for creating specialty polymers and advanced functional materials with specific thermal or optical properties.
• Chemical Biology: Employed as a probe or labeling reagent due to the reactive isothiocyanate group's ability to conjugate with amines, enabling protein modification and bioconjugation studies.
• Ligand Synthesis: Useful for preparing fluorinated ligands for catalysis and metal-organic frameworks (MOFs).

Basic Information

Product Name	3,5-Difluorobenzoyl Isothiocyanate
CAS No.	926227-83-0
Molecular Formula	C8H3F2NOS
Molecular Weight	199.18 g/mol
Synonyms	3,5-Difluorobenzoyl isothiocyanate; 3,5-Difluorobenzoyl mustard oil; Isothiocyanic acid, 3,5-difluorobenzoyl ester; 3,5-Difluorobenzoic acid isothiocyanate; (3,5-Difluorobenzoyl)isothiocyanate; 3,5-Difluorobenzoyl thiocyanate isomer; Benzoyl isothiocyanate, 3,5-difluoro-
EINECS	Contact for details

Quality Control

Our 3,5-Difluorobenzoyl Isothiocyanate is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including HPLC, NMR, and FTIR, to ensure high chemical purity and structural integrity. Certificates of Analysis (COA) detailing purity, identity, and impurity profiles are provided with every shipment to support your R&D and scale-up activities.

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 and moisture-sensitive nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) to prevent decomposition.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
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.