Description

Benzonitrile, 2,3-Diethynyl- (9Ci) is a specialized aromatic nitrile derivative featuring two ethynyl substituents, offering a unique combination of a rigid benzonitrile core with highly reactive terminal alkyne functional groups. This compound matters as a versatile and valuable building block in advanced organic synthesis, particularly for constructing complex molecular architectures via click chemistry and cross-coupling reactions. It is essential for researchers and manufacturers in the pharmaceutical, agrochemical, and materials science sectors who require high-purity intermediates for developing new active ingredients and functional polymers.

Application

• Pharmaceutical Intermediate: Serves as a key synthon for the development of novel drug candidates, especially in creating conjugated systems for targeted therapies.
• Agrochemical Synthesis: Used in the research and production of advanced pesticides and herbicides, where its structural motifs can enhance biological activity.
• Materials Science Research: A critical precursor for synthesizing conjugated polymers, dendrimers, and metal-organic frameworks (MOFs) with tailored electronic or optical properties.
• Click Chemistry Substrate: The terminal alkynes are ideal for Huisgen 1,3-dipolar cycloaddition reactions, enabling efficient ligation in bioconjugation and polymer functionalization.
• Ligand and Catalyst Development: Employed in the preparation of novel ligands for catalysis and coordination chemistry due to its ability to form stable complexes.
• Organic Electronic Materials: Investigated as a building block for organic semiconductors, light-emitting diodes (OLEDs), and photovoltaic materials.

Basic Information

Item	Details
Product Name	Benzonitrile, 2,3-Diethynyl- (9Ci)
CAS No.	412041-42-0
Molecular Formula	C12H5N
Molecular Weight	163.18 g/mol
Synonyms	2,3-Diethynylbenzonitrile; 2,3-Bis(ethynyl)benzonitrile; 1-Cyano-2,3-diethynylbenzene; Benzonitrile, 2,3-diethynyl-; 2,3-Diethynylbenzenecarbonitrile
EINECS	Contact for details

Quality Control

Every batch of Benzonitrile, 2,3-Diethynyl- (9Ci) is produced and analyzed under strict quality management protocols to ensure high purity and batch-to-batch consistency. Our products undergo rigorous quality testing, including advanced chromatographic and spectroscopic methods, to ensure compliance with exacting research and development standards. Comprehensive Certificates of Analysis (COA) detailing purity, identity, and impurity profiles are 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). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) for long-term storage to prevent degradation.

Specification

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

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