Description

Benzene, 1-(3-Butynyl)-4-Fluoro- (9Ci) is a specialized fluorinated aromatic building block containing an alkyne functional group. This unique bifunctional structure makes it a valuable intermediate for synthesizing complex molecules in advanced research and development. It is primarily utilized by pharmaceutical and agrochemical R&D teams for constructing novel active ingredients and by material scientists exploring new polymers and specialty chemicals. The compound is supplied with a CAS Registry Number of 222528-76-9.

Application

• Pharmaceutical Intermediate: A key synthon for the development of novel drug candidates, particularly in medicinal chemistry programs targeting CNS disorders and oncology.
• Agrochemical Synthesis: Used in the research and production of advanced pesticides and herbicides, leveraging the fluorine atom for enhanced biological activity and metabolic stability.
• Material Science Research: Serves as a monomer or cross-linking agent in the development of specialty polymers, liquid crystals, and advanced organic electronic materials.
• Chemical Biology & Proteomics: The alkyne handle enables efficient conjugation via click chemistry (e.g., CuAAC) for labeling biomolecules, probe development, and bioconjugation applications.
• Organic Synthesis Building Block: Employed in palladium-catalyzed cross-coupling reactions (Sonogashira, Heck) and other catalytic transformations to create complex aromatic architectures.

Basic Information

Product Name	Benzene, 1-(3-Butynyl)-4-Fluoro- (9Ci)
CAS No.	222528-76-9
Molecular Formula	C10H9F
Molecular Weight	148.18 g/mol
Synonyms	1-(3-Butyn-1-yl)-4-fluorobenzene; 4-Fluoro-1-(3-butynyl)benzene; 4-Fluorobenzylbut-3-yne; 1-Butyn-3-yl-4-fluorobenzene; (4-Fluorophenyl)but-3-yne; p-Fluorophenylbut-3-yne; 222528-76-9
EINECS	Contact for details

Quality Control

Every batch of Benzene, 1-(3-Butynyl)-4-Fluoro- (9Ci) is produced and tested under strict quality management protocols. We provide comprehensive analytical data to ensure the material meets the high-purity standards required for research and scale-up applications. A Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is supplied 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). Keep away from heat, sparks, and open flames. For long-term storage, consider under an inert atmosphere to maintain optimal purity.

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.