Description

Benzene, 1-Bromo-3-Ethynyl-5-Fluoro- is a high-value, multi-functional halogenated aromatic building block designed for advanced organic synthesis. Its unique structure, featuring bromo, fluoro, and ethynyl substituents, enables precise molecular construction and derivatization, making it essential for creating complex target molecules. This compound is primarily utilized by researchers and process chemists in the pharmaceutical, agrochemical, and materials science industries for developing new active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: A key synthon in the research and development of novel active pharmaceutical ingredients (APIs), particularly for oncology and CNS-targeted therapies.
• Agrochemical Synthesis: Used in the creation of advanced herbicides, fungicides, and insecticides, leveraging its halogenated aromatic core for bioactivity.
• Material Science Precursor: Serves as a building block for organic electronic materials, such as OLEDs and semiconductors, where the ethynyl group facilitates cross-coupling reactions.
• Ligand and Catalyst Development: Employed in the synthesis of specialized ligands for transition metal catalysis and organocatalysis.
• Fluorine Chemistry Research: A valuable substrate for studying fluorination effects and developing new fluorination methodologies in medicinal chemistry.
• Cross-Coupling Reactions: The bromo and ethynyl groups make it an excellent partner for Suzuki, Sonogashira, and other palladium-catalyzed cross-coupling reactions.

Basic Information

Product Name	Benzene, 1-Bromo-3-Ethynyl-5-Fluoro-
CAS No.	1935278-77-5
Molecular Formula	C8H4BrF
Molecular Weight	199.02 g/mol
Synonyms	1-Bromo-3-ethynyl-5-fluorobenzene; 3-Bromo-5-fluorophenylacetylene; 5-Fluoro-3-bromophenylacetylene; 3-Ethynyl-5-fluorobromobenzene; (3-Bromo-5-fluorophenyl)ethyne; 3-Bromo-5-fluoroethynylbenzene; 5-Fluoro-1-bromo-3-ethynylbenzene; 3-Bromo-5-fluorobenzeneacetylene
EINECS	Contact for details

Quality Control

Our Benzene, 1-Bromo-3-Ethynyl-5-Fluoro- is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all critical quality attributes. Our commitment to quality supports compliance with cGMP and ICH guidelines for advanced intermediates.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). Keep away from strong acids and incompatible organic solvents. For long-term storage, consider storing under an inert atmosphere to maintain stability.

Specification

Item	Specification
Appearance	White to off-white crystalline solid or powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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