Description

Benzene, 1-Ethynyl-4-Fluoro-2-(Trifluoromethyl)- is a high-value, multi-fluorinated aromatic building block characterized by its unique combination of an ethynyl group and fluorine/trifluoromethyl substituents. This compound matters for its role as a critical intermediate in advanced organic synthesis, enabling the introduction of rigid, electron-deficient aromatic systems into target molecules. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical and agrochemical industries for creating novel active ingredients, as well as in materials science for developing specialty polymers and electronic chemicals.

Application

• Pharmaceutical Intermediate: Key synthon for the development of novel drug candidates, particularly in kinase inhibitor and CNS-active molecule research.
• Agrochemical Active Ingredient Synthesis: Used in constructing advanced herbicides, fungicides, and pesticides with enhanced efficacy and environmental profile.
• Material Science & Organic Electronics: Building block for conjugated polymers, OLED (Organic Light-Emitting Diode) materials, and semiconductors due to its electron-withdrawing properties.
• Liquid Crystal & Fluorinated Polymer Development: Imparts stability and specific dielectric properties in high-performance fluoropolymers and display materials.
• Cross-Coupling Reactions: The ethynyl group serves as a handle for Sonogashira and other palladium-catalyzed coupling reactions to create complex molecular architectures.
• Chemical Research & Development: Versatile scaffold for exploring new reaction pathways and creating libraries of fluorinated compounds for screening.

Basic Information

Product Name	Benzene, 1-Ethynyl-4-Fluoro-2-(Trifluoromethyl)-
CAS No.	1057670-05-9
Molecular Formula	C9H4F4
Molecular Weight	188.12 g/mol
Synonyms	1-Ethynyl-4-fluoro-2-(trifluoromethyl)benzene; 4-Fluoro-2-(trifluoromethyl)phenylacetylene; 2-(Trifluoromethyl)-4-fluorophenylacetylene; 4-Fluoro-α,α,α-trifluoro-o-tolylacetylene; 1-Ethynyl-4-fluoro-2-trifluoromethylbenzene; 4-Fluoro-2-trifluoromethylphenylacetylene; (4-Fluoro-2-(trifluoromethyl)phenyl)ethyne
EINECS	Contact for details

Quality Control

Every batch of Benzene, 1-Ethynyl-4-Fluoro-2-(Trifluoromethyl)- is produced and analyzed under strict quality management protocols. We employ advanced analytical techniques including GC, HPLC, NMR, and MS to ensure identity, purity, and consistency. A comprehensive Certificate of Analysis (COA) detailing all test results is provided with each shipment, ensuring full traceability and compliance with your internal specifications and cGMP guidelines where applicable.

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 highly volatile nature, keep away from heat, sparks, and open flames. Containers should be kept tightly sealed when not in use to prevent evaporation and potential contamination.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (GC/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.