Description

Benzene, 1-Ethynyl-2-Fluoro-4-(Trifluoromethyl)- is a high-value, multi-functionalized aromatic building block designed for advanced chemical synthesis. This compound is engineered to provide a strategic combination of an ethynyl group for click chemistry and coupling reactions, alongside fluorine and trifluoromethyl substituents that impart unique electronic and steric properties. It is an essential intermediate for researchers and manufacturers in the pharmaceutical, agrochemical, and materials science industries, enabling the development of novel active ingredients and functional materials with enhanced performance characteristics.

Application

• Pharmaceutical Intermediate: A key synthon for constructing complex molecules in drug discovery, particularly for candidates targeting CNS disorders, oncology, and inflammatory diseases.
• Agrochemical Synthesis: Used in the development of next-generation herbicides, fungicides, and insecticides, where the fluorine and trifluoromethyl groups enhance bioavailability and environmental stability.
• Material Science Precursor: Serves as a monomer or cross-linking agent in the synthesis of specialty polymers, liquid crystals, and organic electronic materials (OLEDs, OFETs).
• Fluorine Chemistry Research: An invaluable tool for studying structure-activity relationships (SAR) and introducing fluorine atoms into target molecules to modulate lipophilicity, metabolic stability, and binding affinity.
• Click Chemistry & Bioconjugation: The terminal alkyne group enables efficient Huisgen cycloaddition (copper-catalyzed azide-alkyne cycloaddition) for labeling biomolecules and constructing molecular architectures.
• Catalyst & Ligand Development: Used to create novel ligands for transition metal catalysis, leveraging the electron-withdrawing nature of the fluoro and trifluoromethyl groups to tune catalytic activity.

Basic Information

Item	Detail
Product Name	Benzene, 1-Ethynyl-2-Fluoro-4-(Trifluoromethyl)-
CAS No.	1233506-35-8
Molecular Formula	C9H4F4
Molecular Weight	188.12 g/mol
Synonyms	2-Fluoro-4-(trifluoromethyl)phenylacetylene; 1-Ethynyl-2-fluoro-4-(trifluoromethyl)benzene; 2-Fluoro-α,α,α-trifluoro-p-tolylacetylene; 4-(Trifluoromethyl)-2-fluorophenylacetylene; 2-Fluoro-4-trifluoromethylphenylacetylene; 1-Fluoro-2-ethynyl-5-(trifluoromethyl)benzene; (2-Fluoro-4-(trifluoromethyl)phenyl)ethyne
EINECS	Contact for details

Quality Control

Our production of Benzene, 1-Ethynyl-2-Fluoro-4-(Trifluoromethyl)- adheres to a stringent quality management system. Every batch undergoes comprehensive analytical testing, including NMR, HPLC, and GC-MS, to ensure identity, purity, and consistency meet the exacting standards required for research and commercial synthesis. Certificates of Analysis (COA) with full traceability are provided for all shipments.

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). This material is moisture-sensitive (hygroscopic) and should be handled under an inert atmosphere (e.g., nitrogen or argon) for long-term storage to prevent degradation.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
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.