Description

4-Ethoxycarbonyl-2-Fluorophenylisothiocyanate is a specialized fluorinated aromatic isothiocyanate derivative, a crucial building block in advanced organic synthesis. This compound matters for its role as a key intermediate in the development of pharmaceuticals, agrochemicals, and functional materials, where its reactive isothiocyanate group enables precise molecular construction. It is primarily needed by research and development chemists, process development scientists, and manufacturers in the pharmaceutical and agrochemical industries for creating novel active ingredients and fine chemicals. Its unique structure facilitates the introduction of specific functional groups under controlled conditions.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of novel drug candidates, particularly in medicinal chemistry programs targeting CNS disorders, oncology, and anti-inflammatory agents.
• Agrochemical Synthesis: Used in the development of next-generation herbicides, fungicides, and insecticides, leveraging the fluorine atom for enhanced biological activity and metabolic stability.
• Ligand and Probe Development: Serves as a versatile scaffold for creating chemical probes, fluorescent tags, and chelating ligands used in biochemical assays and diagnostic research.
• Material Science: Employed in the synthesis of advanced polymers and functional materials where fluorinated aromatic units impart specific thermal, chemical, or surface properties.
• Peptide Mimetics and Bioconjugation: The reactive isothiocyanate group is utilized for site-specific bioconjugation and the construction of peptide mimetics and modified biomolecules.

Basic Information

Product Name	4-Ethoxycarbonyl-2-Fluorophenylisothiocyanate
CAS No.	1027513-39-8
Molecular Formula	C10H8FNO2S
Molecular Weight	225.24 g/mol
Synonyms	Ethyl 4-Isothiocyanato-3-fluorobenzoate; 3-Fluoro-4-isothiocyanatobenzoic Acid Ethyl Ester; 2-Fluoro-4-(ethoxycarbonyl)phenyl Isothiocyanate; 4-Carbethoxy-2-fluorophenyl Isothiocyanate; Benzoic acid, 3-fluoro-4-isothiocyanato-, ethyl ester; 4-(Ethoxycarbonyl)-2-fluorophenyl isothiocyanate
EINECS	Contact for details

Quality Control

Our 4-Ethoxycarbonyl-2-Fluorophenylisothiocyanate is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing including HPLC for purity, NMR and IR for structural confirmation, and Karl Fischer titration for moisture content to ensure it meets the high standards required for research and process chemistry. Certificates of Analysis (COA) detailing all specifications are provided with every shipment and are available upon request.

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
Identification (IR)	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.