Description

Benzene, 1,3-Diethynyl-2-Methyl- (9Ci) is a specialized aromatic compound featuring ethynyl functional groups, serving as a high-value synthetic intermediate for advanced material science and pharmaceutical research. Its unique molecular architecture, characterized by the ethynyl groups on a methyl-substituted benzene ring, makes it a critical building block for constructing complex organic frameworks and functional polymers. This compound is essential for R&D chemists and process engineers in the fine chemical, advanced electronics, and specialty polymer industries seeking to develop novel materials with tailored properties.

Application

• Pharmaceutical Intermediate: Used in the synthesis of complex drug candidates and active pharmaceutical ingredients (APIs), particularly those requiring rigid, conjugated aromatic backbones.
• Organic Semiconductor Precursor: Serves as a key monomer or cross-linking agent in the development of organic light-emitting diodes (OLEDs), field-effect transistors (OFETs), and photovoltaic materials.
• Advanced Polymer Chemistry: Acts as a building block for high-performance polymers, including poly(arylene ethynylene)s (PAEs) and other conjugated polymers with applications in optics and electronics.
• Metal-Organic Framework (MOF) Synthesis: Utilized as an organic linker or strut to create novel MOFs with specific pore geometries and functionalities for gas storage, separation, or catalysis.
• Material Science Research: Employed in academic and industrial R&D for creating novel carbon-rich materials, molecular wires, and model compounds for studying electronic properties.
• Cross-coupling Reactions: A valuable substrate in Sonogashira, Heck, and other palladium-catalyzed cross-coupling reactions to form complex biaryl and extended π-conjugated systems.

Basic Information

Product Name	Benzene, 1,3-Diethynyl-2-Methyl- (9Ci)
CAS No.	514790-50-2
Molecular Formula	C11H8
Molecular Weight	140.18 g/mol
Synonyms	1,3-Diethynyl-2-methylbenzene; 2-Methyl-1,3-diethynylbenzene; m-Diethynyltoluene; 2-Methyl-m-diethynylbenzene; 1-Methyl-2,6-diethynylbenzene; 2,6-Diethynyltoluene; Benzene, 2-methyl-1,3-diethynyl-; 1,3-Bis(ethynyl)-2-methylbenzene
EINECS	Contact for details

Quality Control

Our Benzene, 1,3-Diethynyl-2-Methyl- (9Ci) is produced under strict quality management protocols to ensure batch-to-batch consistency and high purity for research and industrial use. Each lot undergoes comprehensive analytical characterization, including NMR, HPLC, and GC-MS, to verify identity and purity. Certificates of Analysis (COA) detailing all test results are provided and can be tailored to meet specific customer or regulatory requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at room temperature (15-25°C). This compound may be light-sensitive; prolonged exposure to light should be avoided. Keep away from heat, sparks, open flames, and strong oxidizing agents.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
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.