Description

Benzonitrile, 4-Ethynyl-2-(Trifluoromethyl)- CAS NO 239104-49-5 is a high-value, multi-functional aromatic nitrile building block characterized by its ethynyl and trifluoromethyl substituents. This compound matters for its role as a critical intermediate in advanced organic synthesis, enabling the construction of complex molecules through reactions like Sonogashira coupling and click chemistry. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and materials science industries for creating novel active ingredients and functional polymers.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of novel drug candidates, particularly in oncology and CNS therapeutic areas.
• Agrochemical Synthesis: Used in the research and development of new herbicides, fungicides, and insecticides with enhanced activity.
• Material Science Precursor: Serves as a monomer or cross-linking agent in the development of specialty polymers, liquid crystals, and advanced organic frameworks (MOFs/COFs).
• Chemical Research: An essential reagent in academic and industrial labs for studying palladium-catalyzed cross-coupling reactions and alkyne-based transformations.
• Ligand Synthesis: Used to prepare sophisticated ligands for catalysis and molecular recognition applications.
• Fluorine Chemistry: The trifluoromethyl group makes it valuable for introducing fluorine atoms to modulate the lipophilicity, metabolic stability, and bioavailability of target molecules.

Basic Information

Product Name	Benzonitrile, 4-Ethynyl-2-(Trifluoromethyl)-
CAS No.	239104-49-5
Molecular Formula	C10H4F3N
Molecular Weight	195.14 g/mol
Synonyms	4-Ethynyl-2-(trifluoromethyl)benzonitrile; 2-(Trifluoromethyl)-4-ethynylbenzonitrile; 4-Ethynyl-α,α,α-trifluoro-o-tolunitrile; 4-Ethynyl-2-trifluoromethylbenzonitrile; 2-Trifluoromethyl-4-ethynylbenzonitrile; 4-Cyano-3-(trifluoromethyl)phenylacetylene
EINECS	Contact for details

Quality Control

Our Benzonitrile, 4-Ethynyl-2-(Trifluoromethyl)- is produced under strict quality management systems. Every batch undergoes rigorous analytical testing to ensure high purity and consistency, meeting the stringent requirements of research and process chemistry. Certificates of Analysis (COA) detailing purity, identity, and impurity profiles are provided with each shipment and are available upon request.

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 heat, sparks, open flames, and strong oxidizing agents. For long-term storage, consider storing under an inert atmosphere to maintain product integrity.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Melting Point	Contact for details
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.