Description

Benzene, 1-Fluoro-4-[(1S)-1-Isocyanatoethyl]- (9Ci) is a specialized chiral aromatic isocyanate building block, distinguished by its fluorine substituent and stereogenic center. This compound is critical for introducing both fluorinated and isocyanate functional groups with precise stereochemistry into advanced molecular architectures. It is primarily utilized by research and development chemists in the pharmaceutical and agrochemical sectors for the synthesis of novel active ingredients and complex intermediates.

Application

• Pharmaceutical Intermediate: Key chiral building block for the synthesis of fluorinated drug candidates, particularly in oncology and CNS therapeutic areas.
• Agrochemical Synthesis: Used in the development of novel, high-performance pesticides and herbicides where the fluorine atom enhances bioavailability and stability.
• Material Science Research: Serves as a monomer or cross-linking agent in the development of specialty polymers, such as polyurethanes and polyureas, with tailored properties.
• Chemical Biology Probes: Employed in the creation of activity-based probes (ABPs) and other research tools for studying enzyme function and biological pathways.
• Liquid Crystal & OLED Materials: A potential precursor for fluorinated components in advanced electronic and display materials.

Basic Information

Product Name	Benzene, 1-Fluoro-4-[(1S)-1-Isocyanatoethyl]- (9Ci)
CAS No.	745783-74-8
Molecular Formula	C9H8FNO2
Molecular Weight	181.16 g/mol
Synonyms	1-Fluoro-4-[(1S)-1-isocyanatoethyl]benzene; (S)-1-(4-Fluorophenyl)ethyl isocyanate; p-Fluoro-(S)-α-methylbenzyl isocyanate; (1S)-1-(4-Fluorophenyl)ethyl isocyanate; (S)-1-Isocyanato-1-(4-fluorophenyl)ethane; (S)-FEIC; (S)-1-(4-Fluorophenyl)ethyl isocyanate; 745783-74-8
EINECS	Contact for details

Quality Control

Every batch of Benzene, 1-Fluoro-4-[(1S)-1-Isocyanatoethyl]- (9Ci) is produced under strict quality management protocols. Our products undergo rigorous analytical testing, including chiral HPLC and NMR, to ensure high chemical and enantiomeric purity suitable for demanding R&D and scale-up applications. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with each shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at 2-8°C under an inert atmosphere (e.g., nitrogen or argon) due to its moisture-sensitive and light-sensitive nature. Keep away from heat, open flames, and sources of ignition. Isocyanate compounds should be stored separately from amines, alcohols, and other nucleophiles.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Enantiomeric Purity (Chiral HPLC)	≥ 98.0% ee
Water Content (KF)	≤ 0.1%

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