Description

(4,4,4-Trifluorobutyl)Thiocyanate is a specialized fluorinated organic building block featuring a reactive thiocyanate functional group. This compound is valued for its unique combination of fluorine atoms and a versatile sulfur-containing moiety, enabling the synthesis of novel materials and active pharmaceutical ingredients. It is primarily sought by research and development chemists in the pharmaceutical, agrochemical, and advanced materials sectors for constructing complex molecular architectures.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of fluorinated drug candidates, particularly in medicinal chemistry programs targeting CNS and metabolic diseases.
• Agrochemical Synthesis: Used in the development of novel pesticides and herbicides where the trifluorobutyl moiety enhances biological activity and environmental stability.
• Liquid Crystal & OLED Materials: Serves as a precursor for fluorinated components in electronic display materials, improving dielectric anisotropy and thermal stability.
• Polymer Modification: Acts as a functional monomer or cross-linking agent to introduce fluorine and sulfur groups into specialty polymers, altering surface properties.
• Chemical Biology Probes: Utilized in the creation of fluorinated probes and tags for studying biological mechanisms and protein interactions.
• Ligand & Catalyst Development: Employed in organometallic chemistry to synthesize novel ligands for catalysis, leveraging the electron-withdrawing effect of the fluorine atoms.

Basic Information

Product Name	(4,4,4-Trifluorobutyl)Thiocyanate
CAS No.	212190-13-1
Molecular Formula	C5H6F3NS
Molecular Weight	169.17 g/mol
Synonyms	4,4,4-Trifluorobutyl thiocyanate; 4,4,4-Trifluoro-1-butyl thiocyanate; 1-Thiocyanato-4,4,4-trifluorobutane; 4,4,4-Trifluorobutyl rhodanide; NSC 405124; (4,4,4-Trifluorobutyl)isothiocyanate (common misnomer); 4,4,4-Trifluorobutanesulfenyl cyanide
EINECS	Contact for details

Quality Control

Our (4,4,4-Trifluorobutyl)Thiocyanate is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including HPLC, GC, NMR, and IR spectroscopy, to ensure identity, purity, and consistency. A detailed Certificate of Analysis (COA) is provided with every shipment, confirming compliance with agreed specifications. We support cGMP and ISO standards for research and development applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at room temperature (15-25°C). Keep away from strong oxidizing agents, strong bases, and sources of ignition. The compound may be moisture-sensitive; handle and store under an inert atmosphere for long-term stability.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (GC/HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Related Substances (GC/HPLC)	Individual ≤ 1.0%; Total ≤ 2.0%

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