Description

1-Ethynyl-3-(Trifluoromethoxy)-Benzene is a high-value aromatic building block featuring both an ethynyl group and a trifluoromethoxy substituent on the benzene ring. This unique molecular architecture makes it a critical intermediate for synthesizing advanced materials and active pharmaceutical ingredients (APIs) where electronic properties and metabolic stability are paramount. It is primarily sought after by R&D and process development teams in the pharmaceutical, agrochemical, and specialty chemical industries for constructing complex molecules.

Application

• Pharmaceutical Intermediate: A key synthon for the development of novel drug candidates, particularly in areas requiring fluorinated compounds for enhanced bioavailability and binding affinity.
• Agrochemical Synthesis: Used in the research and production of advanced pesticides and herbicides, where the trifluoromethoxy group can improve biological activity and environmental stability.
• Material Science Research: Serves as a precursor for organic electronic materials, such as semiconductors or light-emitting diodes (OLEDs), due to its conjugated ethynyl group.
• Ligand and Catalyst Development: Employed in organometallic chemistry to create specialized ligands for catalysis, leveraging the ethynyl moiety for metal coordination.
• Fluorine Chemistry Studies: An important compound for academic and industrial research focused on introducing fluorinated motifs into organic molecules.
• Custom Synthesis and Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for the production of client-specific target molecules.

Basic Information

Product Name	1-Ethynyl-3-(Trifluoromethoxy)-Benzene
CAS No.	866683-57-0
Molecular Formula	C9H5F3O
Molecular Weight	186.13 g/mol
Synonyms	3-(Trifluoromethoxy)phenylacetylene; m-(Trifluoromethoxy)phenylacetylene; 3-Ethynyl-1-(trifluoromethoxy)benzene; 1-Ethynyl-3-(trifluoromethoxy)benzene; 3-(Trifluoromethoxyl)phenylacetylene; Benzene, 1-ethynyl-3-(trifluoromethoxy)-; α-(3-Trifluoromethoxyphenyl)acetylene
EINECS	Contact for details

Quality Control

Our 1-Ethynyl-3-(Trifluoromethoxy)-Benzene is produced under strict quality management protocols. Every batch undergoes comprehensive analytical testing, including HPLC, GC, NMR, and FTIR, to ensure identity, purity, and consistency. We provide a detailed Certificate of Analysis (COA) with each shipment, documenting all critical quality attributes. Our commitment to cGMP principles and adherence to relevant regulatory frameworks ensure a reliable supply for your most demanding applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (typically 15-25°C). Keep away from heat, sparks, and open flames. Due to its light-sensitive nature, containers should be kept in amber glass or opaque packaging during storage and handling.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Related Substances (HPLC)	Individual impurity ≤ 1.0%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.