Description

2-Ethynyl Trifluorotoluene (2-(Trifluoromethyl)Phenylacetylene) is a versatile and high-value aromatic acetylene derivative, distinguished by the presence of both a reactive terminal alkyne group and a trifluoromethyl substituent. This unique molecular architecture makes it an essential key building block for advanced organic synthesis, particularly in the development of pharmaceuticals and agrochemicals where the CF₃ group is prized for its ability to modulate lipophilicity and metabolic stability. It is primarily sought after by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and material science industries for constructing complex molecular frameworks.

Application

• Pharmaceutical Intermediate: A critical precursor in the synthesis of active pharmaceutical ingredients (APIs), especially for compounds containing trifluoromethylated aromatic or heteroaromatic systems.
• Agrochemical Synthesis: Used to create novel herbicides, fungicides, and insecticides where the trifluoromethyl group enhances biological activity and environmental persistence.
• Material Science Building Block: Employed in the development of advanced polymers, liquid crystals, and organic electronic materials via Sonogashira and other cross-coupling reactions.
• Ligand and Catalyst Development: Serves as a starting material for synthesizing specialized ligands used in catalysis and metal-organic frameworks (MOFs).
• Fluorine Chemistry Research: An important reagent for studying structure-activity relationships (SAR) and introducing fluorine atoms into target molecules in medicinal chemistry.
• Chemical Synthesis: Utilized in click chemistry (e.g., copper-catalyzed azide-alkyne cycloaddition) and other modular reactions to create diverse chemical libraries.

Basic Information

Product Name	2-Ethynyl Trifluorotoluene
CAS No.	704-46-1
Molecular Formula	C₉H₅F₃
Molecular Weight	170.13 g/mol
Synonyms	2-(Trifluoromethyl)Phenylacetylene; 1-Ethynyl-2-(trifluoromethyl)benzene; α,α,α-Trifluoro-o-methylphenylacetylene; 2-Ethynylbenzotrifluoride; o-(Trifluoromethyl)phenylacetylene; 2-(Trifluoromethyl)benzeneacetylene; (2-Trifluoromethylphenyl)ethyne
EINECS	Contact for details

Quality Control

Our 2-Ethynyl Trifluorotoluene is manufactured under stringent quality management systems. Every batch undergoes comprehensive analytical testing, including GC, HPLC, and NMR, to ensure high purity and consistency suitable for demanding synthetic applications. A detailed Certificate of Analysis (COA) is provided with each shipment, confirming identity, purity, and impurity profiles.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area away from incompatible materials such as strong acids and oxidizing agents. Recommended storage temperature is 2-8°C for long-term stability. The compound is light-sensitive (store away from light) and should be handled under an inert atmosphere when appropriate to prevent degradation.

Specification

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