Description

2-Difluoromethoxy-1-Isothiocyanato-4-Methyl-Benzene is a specialized aromatic compound featuring both difluoromethoxy and isothiocyanate functional groups, making it a valuable building block in advanced organic synthesis. Its primary commercial value lies in its role as a key intermediate for the development of novel active pharmaceutical ingredients (APIs) and agrochemicals. This high-purity intermediate is essential for research and production facilities in the pharmaceutical, agrochemical, and advanced materials sectors seeking to incorporate unique fluorine and sulfur-containing motifs into their target molecules.

Application

• Pharmaceutical Intermediate: A critical precursor in the synthesis of novel drug candidates, particularly in medicinal chemistry programs targeting kinase inhibitors, anti-cancer agents, and CNS-active compounds.
• Agrochemical Synthesis: Used in the research and development of next-generation herbicides, fungicides, and insecticides where the difluoromethoxy and isothiocyanate groups confer specific biological activity and metabolic stability.
• Chemical Research & Development: Serves as a versatile scaffold in academic and industrial R&D for exploring new chemical entities and reaction pathways in fluorine chemistry.
• Ligand and Material Science: Potential use in the development of specialized ligands for catalysis or as a monomer for creating advanced polymers with specific thermal and chemical resistance properties.

Basic Information

Product Name	2-Difluoromethoxy-1-Isothiocyanato-4-Methyl-Benzene
CAS No.	832739-67-0
Molecular Formula	C9H7F2NOS
Molecular Weight	215.22 g/mol
Synonyms	4-Methyl-2-(difluoromethoxy)phenyl isothiocyanate; 1-Isothiocyanato-2-(difluoromethoxy)-4-methylbenzene; 2-(Difluoromethoxy)-4-methylphenyl isothiocyanate; 2-Difluoromethoxy-4-methylphenyl isothiocyanate; 2-Difluoromethoxy-1-isothiocyanato-4-methylbenzene; 4-Methyl-2-difluoromethoxyphenyl isothiocyanate
EINECS	Contact for details

Quality Control

Every batch of 2-Difluoromethoxy-1-Isothiocyanato-4-Methyl-Benzene is manufactured under strict quality management systems and undergoes comprehensive analytical testing to ensure it meets the high-purity standards required for synthetic applications. We provide full traceability and Certificates of Analysis (COA) detailing purity, identity, and impurity profiles, typically determined by HPLC, GC, NMR, and IR spectroscopy. Our quality commitment aligns with cGMP principles where applicable, ensuring reliability for critical R&D and 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. 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
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0% (Area %)
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.