Description

4-Carboxy-2-Fluorophenylisothiocyanate is a specialized organic building block that combines a reactive isothiocyanate group with a carboxylic acid functionality on a fluorinated aromatic ring. This unique bifunctional structure makes it a valuable intermediate for the synthesis of complex molecules, particularly in pharmaceutical research and advanced material science. It is primarily utilized by R&D chemists and process development scientists in the life sciences and fine chemical industries for creating novel compounds with targeted biological or physical properties.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of active pharmaceutical ingredients (APIs) and drug candidates, particularly those targeting specific enzyme inhibition or receptor modulation.
• Bioconjugation Reagent: Used to modify peptides, proteins, or other biomolecules via reaction with amine groups, enabling the creation of fluorescent probes, drug conjugates, or diagnostic agents.
• Agrochemical Research: Serves as a precursor in the development of novel herbicides, fungicides, or plant growth regulators, leveraging the fluorine atom for enhanced metabolic stability.
• Material Science: Employed in the synthesis of functional polymers, liquid crystals, or organic semiconductors where the fluorine and carboxylic acid groups can tune material properties.
• Chemical Biology Probes: Useful for creating activity-based probes (ABPs) to study enzyme function and mechanism in complex biological systems.
• Custom Synthesis & Contract Manufacturing: A critical starting material for custom synthesis houses and CDMOs (Contract Development and Manufacturing Organizations) serving the global pharmaceutical and biotechnology sectors.

Basic Information

Product Name	4-Carboxy-2-Fluorophenylisothiocyanate
CAS No.	1027512-94-2
Molecular Formula	C8H4FNO2S
Molecular Weight	197.19 g/mol
Synonyms	2-Fluoro-4-isothiocyanatobenzoic acid; 4-Isothiocyanato-2-fluorobenzoic acid; 2-Fluoro-4-(isothiocyanato)benzoic acid; Benzoic acid, 2-fluoro-4-isothiocyanato-; 4-Carboxy-2-fluorophenyl isothiocyanate; 2-Fluor-4-isothiocyanatobenzoesäure (German); Acide 2-fluoro-4-isothiocyanatobenzoïque (French)
EINECS	Contact for details

Quality Control

Every batch of 4-Carboxy-2-Fluorophenylisothiocyanate undergoes rigorous analytical testing to ensure identity, purity, and consistency. Our quality management system is designed to meet the stringent requirements of research and development applications. A comprehensive Certificate of Analysis (COA) detailing purity (typically by HPLC), identity confirmation (by IR and/or NMR), and other critical parameters is provided with each shipment to support your quality assurance protocols.

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)	≥ 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.