Description

Benzaldehyde, 3-Ethynyl-4-Fluoro- (9Ci) CAS NO 100504-75-4 is a high-value, multi-functional aromatic aldehyde building block characterized by its ethynyl and fluoro substituents. This compound is essential for advanced organic synthesis, enabling the construction of complex molecular architectures through its reactive aldehyde and alkyne functional groups. It is primarily sought after by research institutions and pharmaceutical companies engaged in the development of novel active pharmaceutical ingredients (APIs), agrochemicals, and specialty materials.

Application

• Pharmaceutical Intermediate: A key synthon for constructing complex heterocycles and bioactive molecules in medicinal chemistry research and API development.
• Agrochemical Synthesis: Used in the research and production of advanced herbicides, fungicides, and plant growth regulators.
• Material Science Research: Serves as a precursor for novel polymers, liquid crystals, and organic electronic materials due to its conjugated system.
• Cross-Coupling Reactions: The ethynyl group makes it a valuable substrate for Sonogashira, Click chemistry, and other palladium-catalyzed coupling reactions.
• Fluorine Chemistry Studies: The fluorine atom provides a handle for studying structure-activity relationships (SAR) and metabolic stability in drug design.
• Fine Chemical Synthesis: Employed in the custom synthesis of dyes, flavors, fragrances, and other specialty organic compounds.

Basic Information

Product Name	Benzaldehyde, 3-Ethynyl-4-Fluoro- (9Ci)
CAS No.	100504-75-4
Molecular Formula	C9H5FO
Molecular Weight	148.14 g/mol
Synonyms	3-Ethynyl-4-fluorobenzaldehyde; 4-Fluoro-3-ethynylbenzaldehyde; 3-Ethynyl-4-fluorobenzenecarboxaldehyde; 4-Fluoro-3-(ethynyl)benzaldehyde; 100504-75-4; Benzaldehyde, 3-ethynyl-4-fluoro-; 3-Ethynyl-4-fluorophenyl aldehyde
EINECS	Contact for details

Quality Control

Our Benzaldehyde, 3-Ethynyl-4-Fluoro- is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and mass spectrometry, to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing all specifications are provided with every shipment. We support cGMP compliance for pharmaceutical applications and can tailor purity grades to meet specific research or production requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at a controlled room temperature (typically 15-25°C). This compound is easily oxidized (store under inert atmosphere) and is light-sensitive (store away from light). Keep away from heat, sparks, and open flame. For long-term storage, consider storing under an inert gas such as nitrogen or argon.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥97.0% (Standard Grade)
Purity (GC)	≥97.0%
Melting Point	Contact for details
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.