Description

3-Ethynyl-Benzonitrile is a versatile aromatic nitrile building block featuring a reactive terminal alkyne group. This unique bifunctional structure makes it a critical intermediate for constructing complex molecules in advanced research and development. It is primarily sought after by pharmaceutical, agrochemical, and material science industries for applications in medicinal chemistry, ligand synthesis, and polymer cross-linking.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of active pharmaceutical ingredients (APIs) and drug candidates, particularly in kinase inhibitor and oncology research.
• Agrochemical Synthesis: Used in the development of novel herbicides, fungicides, and plant growth regulators.
• Material Science & Polymer Chemistry: Serves as a monomer or cross-linking agent for specialty polymers, resins, and advanced materials via click chemistry (e.g., CuAAC reactions).
• Ligand & Catalyst Development: Precursor for synthesizing specialized ligands used in homogeneous catalysis and metal-organic frameworks (MOFs).
• Organic Electronic Materials: Building block for conjugated molecules used in organic light-emitting diodes (OLEDs) and semiconductors.
• Chemical Biology & Bioconjugation: Enables site-specific labeling and modification of biomolecules through alkyne-azide cycloaddition.

Basic Information

Product Name	3-Ethynyl-Benzonitrile
CAS No.	171290-53-2
Molecular Formula	C9H5N
Molecular Weight	127.14 g/mol
Synonyms	3-Cyanophenylacetylene; m-Ethynylbenzonitrile; 3-Ethynylbenzonitrile; Benzonitrile, 3-ethynyl-; 1-Cyano-3-ethynylbenzene; 3-(Ethynyl)benzonitrile; m-Cyanophenylacetylene
EINECS	Contact for details

Quality Control

Our 3-Ethynyl-Benzonitrile is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including HPLC, GC, NMR, and FTIR, to ensure high purity and batch-to-batch consistency. Certificates of Analysis (COA) with detailed specifications are provided for every shipment, supporting compliance with cGMP and ISO 9001 standards for research and industrial use.

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). This compound is hygroscopic (moisture-sensitive) and should be handled under inert atmosphere (e.g., nitrogen or argon) for long-term storage to maintain stability.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Melting Point	Contact for details

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