Description

Benzene, 1,2,4-Trifluoro-5-Isothiocyanato- (9Ci) is a high-purity, multi-functional fluorinated aromatic building block. This compound is valued for its unique reactivity, combining a trifluoromethylbenzene core with a versatile isothiocyanate functional group, enabling precise chemical modifications. It is primarily utilized by research chemists and process development scientists in the pharmaceutical and agrochemical industries for the synthesis of novel active ingredients and advanced materials.

Application

• Pharmaceutical Intermediate: A key synthon for the development of fluorinated drug candidates, particularly in oncology and CNS therapeutic areas.
• Agrochemical Synthesis: Used in creating novel pesticides and herbicides where the fluorine atoms enhance biological activity and environmental stability.
• Ligand and Catalyst Development: Serves as a precursor for specialized ligands in catalysis and molecular recognition studies.
• Material Science Research: Incorporated into polymers and advanced organic frameworks to impart specific electronic or surface properties.
• Chemical Biology Probes: The isothiocyanate group allows for selective labeling and conjugation to biomolecules for diagnostic and research applications.
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs for the production of bespoke compounds and small-scale commercial batches.

Basic Information

Product Name	Benzene, 1,2,4-Trifluoro-5-Isothiocyanato- (9Ci)
CAS No.	362690-53-7
Molecular Formula	C7H2F3NS
Molecular Weight	189.16 g/mol
Synonyms	1,2,4-Trifluoro-5-isothiocyanatobenzene; 5-Isothiocyanato-1,2,4-trifluorobenzene; 2,4,5-Trifluorophenyl isothiocyanate; 1-Isothiocyanato-2,4,5-trifluorobenzene; (2,4,5-Trifluorophenyl) isothiocyanate; Benzene, 1,2,4-trifluoro-5-isothiocyanato-; 5-Isothiocyanato-1,2,4-trifluorobenzene (9CI)
EINECS	Contact for details

Quality Control

Every batch of Benzene, 1,2,4-Trifluoro-5-Isothiocyanato- (9Ci) is manufactured under strict quality management systems. Our products undergo rigorous analytical testing, including HPLC, GC, NMR, and IR spectroscopy, to ensure identity, purity, and consistency. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with each shipment to support your quality assurance and regulatory documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation.

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%
Residue on Ignition	≤ 0.1%

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