Description

4-Fluoro-α-Methylbenzyl Isothiocyanate is a specialized organic building block featuring a reactive isothiocyanate group and a chiral center. This compound is valued for its role as a key intermediate in the synthesis of more complex molecules, particularly in pharmaceutical and agrochemical research. It is primarily sought after by R&D chemists and process development scientists working on novel active ingredients, heterocyclic compounds, and chiral ligands.

Application

• Pharmaceutical Intermediate: A crucial precursor in the synthesis of potential drug candidates, especially those targeting central nervous system (CNS) disorders or possessing anti-inflammatory properties.
• Agrochemical Research: Used in the development of novel herbicides, fungicides, and insecticides, leveraging the fluorine atom for enhanced bioactivity and metabolic stability.
• Chiral Auxiliary/Synthon: The α-methylbenzyl group provides a chiral handle for asymmetric synthesis, making it valuable for constructing enantiomerically pure compounds.
• Ligand and Catalyst Development: Serves as a starting material for creating novel thiourea-based ligands and organocatalysts used in stereoselective transformations.
• Chemical Biology Probes: The reactive isothiocyanate group allows for conjugation to biomolecules (proteins, peptides), enabling the creation of probes for studying biological mechanisms.
• Material Science: Investigated as a monomer or cross-linking agent in the synthesis of specialized polymers with unique thermal or optical properties.

Basic Information

Product Name	4-Fluoro-α-Methylbenzyl Isothiocyanate
CAS No.	182565-27-1
Molecular Formula	C9H8FNS
Molecular Weight	181.23 g/mol
Synonyms	1-(4-Fluorophenyl)ethyl isothiocyanate; (1-(4-Fluorophenyl)ethyl) isothiocyanate; α-Methyl-4-fluorobenzyl isothiocyanate; (RS)-1-(4-Fluorophenyl)ethyl isothiocyanate; 4-Fluoro-α-methylbenzyl isothiocyanate; 1-(4-Fluorophenyl)ethan-1-yl isothiocyanate; p-Fluoro-α-methylbenzyl isothiocyanate
EINECS	Contact for details

Quality Control

Our 4-Fluoro-α-Methylbenzyl Isothiocyanate is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including chromatographic purity assays and structural confirmation, to ensure consistency and reliability for research and development applications. A detailed Certificate of Analysis (COA) is provided with every shipment, documenting key parameters such as assay, enantiomeric purity (if applicable), and impurity profiles.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place. Due to its hygroscopic (moisture-sensitive) nature, the container should be kept sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation. Recommended long-term storage temperature is 2-8°C.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%

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