Description

3-Carboxy-4-Fluorophenylisothiocyanate is a specialized bifunctional organic building block that combines a reactive isothiocyanate group with a carboxylic acid moiety on a fluorinated aromatic ring. This unique structure makes it a critical intermediate for the synthesis of complex molecules, particularly in pharmaceutical research and advanced material science. It is primarily used by R&D chemists and process development scientists in the life sciences, agrochemical, and specialty chemical industries to introduce novel fluorinated scaffolds and functional handles into target compounds.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of fluorinated active pharmaceutical ingredients (APIs) and drug candidates, particularly in kinase inhibitor and oncology research.
• Bioconjugation & Probe Synthesis: Used to create fluorescent probes, affinity labels, and other bioconjugates via reaction of the isothiocyanate group with amines under mild conditions.
• Agrochemical Research: Serves as a precursor for developing novel fluorinated herbicides, fungicides, and plant growth regulators.
• Material Science: Employed in the synthesis of monomers and polymers with specific optical or electronic properties, leveraging the fluorine atom's influence.
• Chemical Biology Tool: Facilitates the study of protein function and interaction through the creation of covalent modifiers and activity-based probes.
• Custom Synthesis & Contract Manufacturing: A valuable starting material for custom synthesis houses serving the pharmaceutical and biotechnology sectors.

Basic Information

Product Name	3-Carboxy-4-Fluorophenylisothiocyanate
CAS No.	1027513-02-5
Molecular Formula	C8H4FNO2S
Molecular Weight	197.19 g/mol
Synonyms	4-Fluoro-3-isothiocyanatobenzoic Acid; 3-Isothiocyanato-4-fluorobenzoic Acid; 4-Fluoro-3-(isothiocyanato)benzoic Acid; Benzoic acid, 4-fluoro-3-isothiocyanato-; 1027513-02-5; 3-Carboxy-4-fluorophenyl isothiocyanate; 4-Fluoro-m-isothiocyanatobenzoic Acid
EINECS	Contact for details

Quality Control

Our 3-Carboxy-4-Fluorophenylisothiocyanate is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC for purity and identity confirmation via FT-IR and NMR, to ensure it meets the high standards required for research and development applications. A comprehensive Certificate of Analysis (COA) detailing batch-specific results 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 (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
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
Water Content (KF)	≤ 0.5%
Heavy Metals	< 20 ppm

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