Description

1-Fluoro-3-Isothiocyanato-5-Methylbenzene is a high-purity, specialized aromatic building block featuring both fluorine and isothiocyanate functional groups. This bifunctional compound is engineered for advanced synthetic chemistry, enabling the precise construction of complex molecular architectures. It is a critical intermediate for researchers and manufacturers in pharmaceutical development, agrochemical synthesis, and materials science who require reliable, high-quality reagents for creating novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: A key building block for the synthesis of novel drug candidates, particularly in medicinal chemistry programs targeting kinase inhibitors and other small molecule therapeutics.
• Agrochemical Synthesis: Used in the research and development of next-generation herbicides, fungicides, and pesticides, leveraging the bioactivity of the isothiocyanate moiety.
• Bioconjugation & Probe Development: The reactive isothiocyanate group allows for efficient labeling and conjugation with amines in proteins, peptides, and other biomolecules for diagnostic and research applications.
• Materials Science Research: Serves as a monomer or cross-linking agent in the development of advanced polymers and functional materials with tailored properties.
• Chemical Biology Tool: Employed in activity-based protein profiling (ABPP) and other chemoproteomic strategies to study enzyme function and discover new targets.
• Ligand & Catalyst Development: Used to synthesize novel ligands and organocatalysts for asymmetric synthesis and transition metal catalysis.

Basic Information

Product Name	1-Fluoro-3-Isothiocyanato-5-Methylbenzene
CAS No.	1404091-62-8
Molecular Formula	C8H4FNS
Molecular Weight	165.19 g/mol
Synonyms	3-Fluoro-5-Methylphenyl Isothiocyanate; 5-Methyl-3-fluorophenyl Isothiocyanate; 1-Fluoro-3-isothiocyanato-5-methyl-benzene; 3-Fluoro-5-methylbenzenisothiocyanate; (3-Fluoro-5-methylphenyl) Isothiocyanate; 3-Fluoro-5-methylphenyl Mustard Oil; 5-Methyl-3-fluorobenzene Isothiocyanate
EINECS	Contact for details

Quality Control

Our production of 1-Fluoro-3-Isothiocyanato-5-Methylbenzene adheres to stringent in-process controls and final release testing to ensure batch-to-batch consistency and high purity. Quality is verified using advanced analytical techniques including HPLC, GC, NMR, and IR spectroscopy. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles 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 room temperature (15-25°C). Due to its hygroscopic nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent moisture absorption and degradation. Keep away from heat and incompatible materials.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid or solid
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.