Description

3-Ethoxycarbonyl-4-Fluorophenylisothiocyanate is a specialized organic building block featuring both an isothiocyanate and a fluorinated aromatic ring. This compound matters for its role as a key intermediate in the synthesis of more complex heterocyclic and pharmaceutical compounds, enabling the introduction of sulfur and fluorine-containing functional groups. It is primarily needed by research chemists and process development scientists in the pharmaceutical, agrochemical, and advanced materials sectors for constructing novel molecular scaffolds.

Application

• Pharmaceutical Intermediate: A crucial precursor in the synthesis of potential drug candidates, particularly those targeting kinase inhibition or requiring fluorine atoms for metabolic stability.
• Agrochemical Research: Used in the development of novel herbicides, fungicides, and insecticides where the isothiocyanate moiety can be leveraged for bioactivity.
• Heterocyclic Chemistry: Serves as a versatile starting material for the construction of thioureas, thiazoles, and other sulfur-nitrogen heterocycles via reactions with amines.
• Chemical Biology Probes: Utilized in the design of activity-based probes (ABPs) and affinity labels due to the reactive isothiocyanate group, which can covalently bind to biological nucleophiles.
• Material Science: Investigated as a monomer or cross-linking agent for creating polymers with specific optical or electronic properties derived from the fluorinated aromatic system.

Basic Information

Product Name	3-Ethoxycarbonyl-4-Fluorophenylisothiocyanate
CAS No.	1027513-55-8
Molecular Formula	C10H8FNO2S
Molecular Weight	225.24 g/mol
Synonyms	Ethyl 4-Fluoro-3-isothiocyanatobenzoate; 4-Fluoro-3-isothiocyanatobenzoic Acid Ethyl Ester; 3-Isothiocyanato-4-fluorobenzoic Acid Ethyl Ester; Benzoic acid, 4-fluoro-3-isothiocyanato-, ethyl ester; Ethyl 3-isothiocyanato-4-fluorobenzoate; 3-(Isothiocyanato)-4-fluorobenzoic acid ethyl ester; 1027513-55-8
EINECS	Contact for details

Quality Control

Our 3-Ethoxycarbonyl-4-Fluorophenylisothiocyanate is produced under strict quality management protocols. Each batch undergoes rigorous analytical testing, including HPLC for purity and identity confirmation via FT-IR and NMR spectroscopy, to ensure it meets the high standards required for research and development applications. A comprehensive Certificate of Analysis (COA) detailing purity, assay, and impurity profiles is provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 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 or solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0% (Area %)
Melting Point	Contact for details
Water Content (KF)	≤ 0.5%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.