Description

1-tert-Butoxy-3-Fluoro-5-Isothiocyanatobenzene is a specialized aromatic compound featuring both a reactive isothiocyanate group and a fluoro substituent, making it a valuable building block for advanced chemical synthesis. This high-purity intermediate is engineered to provide reliable performance and consistent quality for demanding research and production processes. It is primarily utilized by pharmaceutical, agrochemical, and advanced materials researchers for the development of novel active ingredients and functional molecules.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of novel drug candidates, particularly in medicinal chemistry programs targeting specific biological receptors.
• Agrochemical Synthesis: Used in the research and development of new herbicides, fungicides, and pesticides, leveraging its reactive site for creating active molecules.
• Ligand and Probe Development: Serves as a precursor for creating fluorescent probes, affinity labels, and other biochemical tools due to the isothiocyanate group's ability to conjugate with amines.
• Material Science Research: Employed in the synthesis of advanced polymers and functional materials where the introduction of fluorine and specific aromatic linkages is required.
• Custom Chemical Synthesis: A versatile starting material for contract research organizations (CROs) and fine chemical manufacturers producing bespoke compounds for client projects.

Basic Information

Product Name	1-tert-Butoxy-3-Fluoro-5-Isothiocyanatobenzene
CAS No.	889362-83-8
Molecular Formula	C11H12FNO2S
Molecular Weight	241.28 g/mol
Synonyms	3-Fluoro-5-isothiocyanato-1-(tert-butoxy)benzene; 5-Isothiocyanato-1-tert-butoxy-3-fluorobenzene; 1-(tert-Butoxy)-3-fluoro-5-isothiocyanatobenzene; Benzene, 1-(1,1-dimethylethoxy)-3-fluoro-5-isothiocyanato-; tert-Butyl 3-fluoro-5-isothiocyanatophenyl ether
EINECS	Contact for details

Quality Control

Our production of 1-tert-Butoxy-3-Fluoro-5-Isothiocyanatobenzene adheres to stringent quality management protocols to ensure batch-to-batch consistency and high purity. Each lot is analyzed using advanced techniques including HPLC, GC, NMR, and IR spectroscopy. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with every shipment, supporting your quality assurance and regulatory documentation needs.

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
Identification (NMR)	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.