Description

Benzene, 1,2,5-Trifluoro-3-Isothiocyanato- (9Ci) is a specialized fluorinated aromatic building block containing a reactive isothiocyanate functional group. This compound is valued for its unique molecular architecture, enabling the synthesis of complex heterocyclic and bioactive molecules. It is primarily utilized by research chemists and process development scientists in the pharmaceutical and agrochemical industries for advanced chemical synthesis and derivatization.

Application

• Pharmaceutical Intermediate: A key precursor in the synthesis of novel drug candidates, particularly those targeting central nervous system (CNS) disorders and oncology.
• Agrochemical Research: Used to develop new active ingredients for herbicides and pesticides, leveraging the fluorine atoms for enhanced metabolic stability and bioavailability.
• Ligand Synthesis: Employed in the preparation of specialized ligands for catalysis and materials science applications.
• Fluorescent Probe Development: Serves as a building block for creating advanced fluorescent dyes and molecular probes used in bioimaging and diagnostics.
• Polymer Modification: Acts as a functional monomer or cross-linking agent for introducing specific chemical properties into advanced polymeric materials.
• Chemical Biology Tool: Utilized for protein labeling and bioconjugation studies due to the reactivity of the isothiocyanate group with amines.

Basic Information

Product Name	Benzene, 1,2,5-Trifluoro-3-Isothiocyanato- (9Ci)
CAS No.	362690-55-9
Molecular Formula	C7H2F3NS
Molecular Weight	189.16 g/mol
Synonyms	1,2,5-Trifluoro-3-isothiocyanatobenzene; 3-Isothiocyanato-1,2,5-trifluorobenzene; 1,2,5-Trifluoro-3-isothiocyanato-Benzene; Benzene, 1,2,5-trifluoro-3-isothiocyanato-; 362690-55-9; 1,2,5-Trifluoro-3-isocyanato thiobenzene (tautomeric form)
EINECS	Contact for details

Quality Control

Our Benzene, 1,2,5-Trifluoro-3-Isothiocyanato- (9Ci) is produced under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, NMR, and GC-MS, to ensure high purity and batch-to-batch consistency. Certificates of Analysis (COA) detailing identity, purity, and impurity profiles are available upon request to support your quality assurance and regulatory documentation needs.

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). 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
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.