Description

Benzene, 1-Fluoro-3-Isothiocyanato-2-Methyl- (9Ci) is a specialized aromatic compound featuring both fluorine and isothiocyanate functional groups on a methyl-substituted benzene ring. This unique bifunctional structure makes it a valuable high-purity building block for advanced organic synthesis, particularly in the development of novel chemical entities. It is primarily sought by pharmaceutical and agrochemical R&D teams for creating targeted libraries of bioactive molecules and functional materials.

Application

• Pharmaceutical Intermediate: Serves as a key precursor in the synthesis of novel drug candidates, especially those targeting specific receptors where fluorine and thiourea motifs are critical for activity.
• Agrochemical Research: Used in the development of new herbicides, fungicides, and pesticides, leveraging the reactivity of the isothiocyanate group.
• Chemical Biology Probe Synthesis: Employed to create activity-based probes (ABPs) for studying enzyme function and mechanism, due to the electrophilic isothiocyanate moiety.
• Material Science: Acts as a monomer or cross-linking agent in the production of specialized polymers and resins with tailored properties.
• Ligand and Catalyst Development: Utilized for constructing complex ligands for catalysis or metal-organic frameworks (MOFs).

Basic Information

Product Name	Benzene, 1-Fluoro-3-Isothiocyanato-2-Methyl- (9Ci)
CAS No.	363179-58-2
Molecular Formula	C8H4FNS
Molecular Weight	165.19 g/mol
Synonyms	2-Methyl-3-fluoro-1-isothiocyanatobenzene; 3-Fluoro-2-methylphenyl isothiocyanate; 1-Fluoro-3-isothiocyanato-2-methylbenzene; 2-Methyl-3-fluorophenyl isothiocyanate; (3-Fluoro-2-methylphenyl) isothiocyanate; Benzene, 1-fluoro-3-isothiocyanato-2-methyl-; 363179-58-2 (CAS); 3-Fluoro-o-tolyl isothiocyanate
EINECS	Contact for details

Quality Control

Our Benzene, 1-Fluoro-3-Isothiocyanato-2-Methyl- (9Ci) is produced under strict quality management protocols to ensure batch-to-batch consistency and high purity suitable for research and development. Each lot undergoes comprehensive analytical characterization, including HPLC, GC, NMR, and IR spectroscopy. A Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with every shipment to support your quality assurance processes.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place. Due to its hygroscopic and light-sensitive nature, it is recommended to store the material under an inert atmosphere (e.g., nitrogen or argon) at temperatures between 2°C and 8°C for long-term stability. Allow the container to reach room temperature before opening to minimize moisture ingress.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Identification (NMR)	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.