Description

3-Fluoro-4-Isothiocyanato-2-(Trifluoromethyl)Benzonitrile is a high-value, multi-functional aromatic intermediate featuring both an isothiocyanate and a nitrile group. This compound matters for its role as a critical building block in the synthesis of advanced pharmaceutical agents and agrochemicals, enabling the introduction of thiourea and other sulfur-containing moieties. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and specialty chemical industries for creating novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: Key precursor for synthesizing potential drug candidates, particularly those targeting kinases, receptors, or enzymes where the thiourea linkage is pharmacologically active.
• Agrochemical Synthesis: Used in the development of next-generation herbicides, fungicides, and insecticides that require the bioactivity of fluorine and sulfur-containing heterocycles.
• Ligand and Chelator Development: Serves as a versatile starting material for creating novel ligands in catalysis or metal-chelating agents for imaging and therapeutic applications.
• Material Science Research: Employed in the synthesis of advanced polymers or organic electronic materials where its functional groups can modify material properties.
• Bioconjugation and Probe Chemistry: The reactive isothiocyanate group allows for labeling and conjugation with amines in proteins, peptides, or other biomolecules for diagnostic and research tools.
• Custom Synthesis and Contract Manufacturing: A critical raw material for CDMOs (Contract Development and Manufacturing Organizations) serving clients in life sciences.

Basic Information

Item	Details
Product Name	3-Fluoro-4-Isothiocyanato-2-(Trifluoromethyl)Benzonitrile
CAS No.	1311158-94-7
Molecular Formula	C9H2F4N2S
Molecular Weight	246.19 g/mol
Synonyms	2-(Trifluoromethyl)-3-fluoro-4-isothiocyanatobenzonitrile; 4-Isothiocyanato-3-fluoro-2-(trifluoromethyl)benzonitrile; 3-Fluoro-4-isothiocyanato-α,α,α-trifluoro-o-tolunitrile; 2-Cyano-6-fluoro-α,α,α-trifluoro-m-tolyl isothiocyanate; Benzene, 2-cyano-6-fluoro-α,α,α-trifluoro-m-tolyl isothiocyanate; 1311158-94-7; 3-Fluoro-4-isothiocyanato-2-trifluoromethylbenzonitrile
EINECS	Contact for details

Quality Control

Our 3-Fluoro-4-Isothiocyanato-2-(Trifluoromethyl)Benzonitrile is manufactured under strict quality management systems. Every batch undergoes comprehensive analytical testing including HPLC, NMR, and GC-MS to ensure identity, purity, and consistency. Certificates of Analysis (COA) documenting all critical parameters are provided and available upon request to support your regulatory and R&D 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	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Single Unknown Impurity (HPLC)	≤ 0.5%

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