Description

3-Fluorophenyl Isothiocyanate is a versatile fluorinated aromatic building block essential for advanced organic synthesis. Its reactive isothiocyanate group enables the efficient introduction of the 3-fluorophenyl moiety into target molecules, facilitating the development of compounds with tailored properties. This high-purity intermediate is critical for researchers and manufacturers in the pharmaceutical, agrochemical, and material science industries seeking to incorporate fluorine for enhanced bioactivity, stability, or electronic characteristics.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of fluorinated active pharmaceutical ingredients (APIs) and drug candidates, particularly for oncology and CNS-targeted therapies.
• Agrochemical Synthesis: Used in the development of novel herbicides, fungicides, and pesticides where the fluorine atom improves metabolic stability and membrane permeability.
• Ligand and Catalyst Development: Serves as a starting material for creating specialized ligands and organocatalysts used in asymmetric synthesis and metal complexation.
• Material Science Research: Employed in the synthesis of fluorinated polymers, liquid crystals, and organic electronic materials to modify solubility and optoelectronic properties.
• Bioconjugation and Probe Chemistry: Useful for labeling biomolecules (proteins, peptides) due to the reactivity of the isothiocyanate group with amine functionalities.
• Chemical Biology Tool: Acts as a scaffold for developing activity-based probes and inhibitors to study enzyme function and biological pathways.

Basic Information

Product Name	3-Fluorophenyl Isothiocyanate
CAS No.	404-72-8
Molecular Formula	C7H4FNS
Molecular Weight	153.18 g/mol
Synonyms	1-Fluoro-3-isothiocyanatobenzene; m-Fluorophenyl Isothiocyanate; 3-Fluorobenzene Isothiocyanate; 3-Fluorophenyl Mustard Oil; Isothiocyanic Acid 3-Fluorophenyl Ester; 3-Fluorophenylthiocarbonimide; (3-Fluorophenyl)isothiocyanate
EINECS	206-968-1

Quality Control

Our 3-Fluorophenyl Isothiocyanate is manufactured under strict quality management systems to ensure batch-to-batch consistency and high purity. Each lot is subjected to comprehensive analytical testing, including HPLC, GC, NMR, and FTIR, to confirm identity and purity. A detailed Certificate of Analysis (COA) is provided with every shipment, documenting all critical quality parameters. We support cGMP compliance for pharmaceutical applications and can tailor specifications to meet specific project requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at a controlled room temperature (15-25°C). Keep away from strong acids and incompatible organic solvents. Due to its light-sensitive nature and reactivity, the container should be kept sealed under an inert atmosphere when not in use to maintain product integrity.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Related Substances (HPLC)	Total impurities ≤ 2.0%
Density (at 20°C)	~1.25 g/cm³

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