Description

3-Ethynyl-Benzonitrile is a versatile aromatic nitrile building block featuring a reactive ethynyl group. This compound is of significant value in advanced organic synthesis, particularly for constructing complex molecular architectures via cross-coupling and cycloaddition reactions. It is primarily sought after by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and material science industries for creating novel active ingredients and functional polymers.

Application

• Pharmaceutical Intermediate: A key synthon for the development of active pharmaceutical ingredients (APIs), especially in kinase inhibitor and oncology drug candidates.
• Agrochemical Synthesis: Used in the research and production of novel herbicides, fungicides, and plant growth regulators.
• Material Science Precursor: Serves as a monomer or cross-linking agent in the synthesis of specialty polymers, resins, and advanced organic frameworks (MOFs/COFs).
• Ligand and Catalyst Development: Employed to create novel ligands for transition metal catalysis and organocatalysts.
• Chemical Biology Probe: Utilized in click chemistry (e.g., CuAAC reactions) for bioconjugation and labeling of biomolecules.
• Organic Electronic Materials: A building block for π-conjugated systems used in OLEDs, organic semiconductors, and sensors.

Basic Information

Product Name	3-Ethynylbenzonitrile
CAS No.	114041-76-8
Molecular Formula	C9H5N
Molecular Weight	127.14 g/mol
Synonyms	3-Ethynylbenzonitrile; m-Ethynylbenzonitrile; 3-Cyanophenylacetylene; Benzonitrile, 3-ethynyl-; 3-(Ethynyl)benzonitrile; 1-Cyano-3-ethynylbenzene; (3-Cyanophenyl)acetylene
EINECS	Contact for details

Quality Control

Our 3-Ethynylbenzonitrile is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including HPLC, GC, NMR, and FTIR, to ensure high purity and consistent performance. A detailed Certificate of Analysis (COA) is provided with every shipment, confirming compliance with agreed specifications. We support cGMP and ISO standards for pharmaceutical and industrial applications.

Storage

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

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 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.