Description

Benzene, 1-Ethynyl-4-Fluoro-3-(Trifluoromethyl)- is a highly functionalized aromatic building block containing both fluoro and trifluoromethyl substituents alongside an ethynyl group. This unique combination of functional groups makes it a critical intermediate for advanced material science and pharmaceutical research, enabling the synthesis of complex molecules with tailored properties. 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 building block for the synthesis of novel drug candidates, particularly in oncology and CNS therapeutic areas.
• Agrochemical Active Ingredient Synthesis: Used in creating advanced herbicides and pesticides with improved efficacy and environmental profiles.
• Material Science Research: Serves as a monomer or precursor for developing specialty polymers, liquid crystals, and organic electronic materials.
• Fluorinated Compound Library Synthesis: Essential for medicinal chemistry and discovery programs focused on fluorine-containing compound libraries.
• Cross-Coupling Reactions: The ethynyl group makes it a valuable substrate for Sonogashira and other palladium-catalyzed cross-coupling reactions.
• Ligand and Catalyst Development: Used in the preparation of specialized ligands for catalysis and molecular recognition.

Basic Information

Product Name	Benzene, 1-Ethynyl-4-Fluoro-3-(Trifluoromethyl)-
CAS No.	1233501-60-4
Molecular Formula	C9H4F4
Molecular Weight	188.12 g/mol
Synonyms	1-Ethynyl-4-fluoro-3-(trifluoromethyl)benzene; 4-Fluoro-3-(trifluoromethyl)phenylacetylene; 3-(Trifluoromethyl)-4-fluorophenylacetylene; 4-Fluoro-α,α,α-trifluoro-m-tolylacetylene; 1-Ethynyl-4-fluoro-3-trifluoromethyl-benzene; 4-Fluoro-3-trifluoromethylphenylacetylene; (4-Fluoro-3-(trifluoromethyl)phenyl)ethyne
EINECS	Contact for details

Quality Control

Our Benzene, 1-Ethynyl-4-Fluoro-3-(Trifluoromethyl)- is manufactured under strict quality control protocols to ensure batch-to-batch consistency and high purity for research and development applications. All products undergo rigorous analytical testing, including NMR, HPLC, and GC-MS. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with each shipment and is available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). Due to its highly volatile nature, ensure containers are kept sealed when not in use and stored away from heat sources and open flame.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	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.