Description

3-Butyn-2-One, 4-Chloro-1,1,1-Trifluoro- is a specialized fluorinated alkyne building block of significant interest in advanced organic synthesis. This compound matters for its unique molecular architecture, combining a reactive terminal alkyne with a chloro-trifluoromethyl motif, enabling the construction of complex fluorinated scaffolds. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical and agrochemical industries for creating novel active ingredients and intermediates.

Application

• Pharmaceutical Intermediate: A key building block for the synthesis of fluorinated drug candidates, particularly in kinase inhibitor and antiviral research.
• Agrochemical Synthesis: Used in the development of novel herbicides and pesticides where the trifluoromethyl group enhances biological activity and metabolic stability.
• Material Science Research: Serves as a monomer or cross-linker in the development of specialty polymers with tailored surface properties.
• Fluorine Chemistry: An essential reagent for introducing the -C≡CH and -CF3 groups simultaneously in complex molecule synthesis via Sonogashira and other cross-coupling reactions.
• Ligand & Catalyst Development: Employed in the preparation of novel ligands for catalysis, leveraging the alkyne for click chemistry modifications.
• Chemical Biology Probes: Used to create tagged molecules for studying biological pathways, where the alkyne allows for bioorthogonal labeling.

Basic Information

Product Name	3-Butyn-2-One, 4-Chloro-1,1,1-Trifluoro-
CAS No.	872885-13-7
Molecular Formula	C4H2ClF3O
Molecular Weight	158.51 g/mol
Synonyms	4-Chloro-1,1,1-trifluorobut-3-yn-2-one; 4-Chloro-1,1,1-trifluoro-3-butyn-2-one; 1,1,1-Trifluoro-4-chloro-3-butyn-2-one; 4-Chloro-1,1,1-trifluorobutynone; 3-Butyn-2-one, 4-chloro-1,1,1-trifluoro-; CF3C(O)C≡CCl
EINECS	Contact for details

Quality Control

Our 3-Butyn-2-One, 4-Chloro-1,1,1-Trifluoro- is produced under strict quality management protocols. Each batch undergoes rigorous analytical testing, including GC, HPLC, and NMR, to ensure high purity and consistency. Certificates of Analysis (COA) with detailed specifications are provided for every shipment, supporting your quality assurance and regulatory documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). Due to its highly volatile nature, ensure containers are kept tightly sealed when not in use to prevent evaporation and potential concentration changes.

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.