Description

1,3-Diethynylbenzene (CAS: 1785-61-1) is a highly specialized aromatic compound with the molecular formula C₁₀H₆. This organic chemical features two ethynyl groups (–C≡CH) symmetrically positioned on a benzene ring at the 1,3-positions, making it a valuable building block in synthetic chemistry and materials science. With a purity of 97% or higher, our product is rigorously tested to meet the stringent requirements of research and industrial applications.

This compound is particularly useful in the synthesis of conjugated polymers, dendrimers, and other advanced organic materials due to its ability to participate in cross-coupling reactions (e.g., Sonogashira, Glaser coupling) and polymerization processes. Its rigid, linear structure contributes to the development of high-performance electronic and optoelectronic materials, including organic semiconductors, liquid crystals, and molecular wires.

Packaged under inert conditions to ensure stability, our 1,3-Diethynylbenzene is ideal for laboratories focused on organic synthesis, nanotechnology, and advanced material development. Available in various quantities with detailed technical documentation, including MSDS and NMR spectra.

Properties

• CAS Number: 1785-61-1
• Complexity: 173
• IUPAC Name: 1,3-diethynylbenzene
• InChI: InChI=1S/C10H6/c1-3-9-6-5-7-10(4-2)8-9/h1-2,5-8H
• InChI Key: PNXLPYYXCOXPBM-UHFFFAOYSA-N
• Exact Mass: 126.0469501914
• Molecular Formula: C10H6
• Molecular Weight: 126.15
• SMILES: C#CC1=CC(=CC=C1)C#C
• Monoisotopic Mass: 126.0469501914
• Synonyms: 1,3-Diethynylbenzene, 1785-61-1, Benzene, 1,3-diethynyl-, M-DIETHYNYLBENZENE, DTXSID20170491, DTXCID2092982, 628-564-9, inchi=1/c10h6/c1-3-9-6-5-7-10(4-2)8-9/h1-2,5-8, Benzene,1,3-diethynyl-, MFCD00041686, 1,3-diethynyl-benzene, YSWG158, 1,3-Diethynylbenzene, 97%, SCHEMBL242646, CHEMBL449036, SCHEMBL1502312, SCHEMBL2188578, SCHEMBL2189095, SCHEMBL6752536, SBB008746, AKOS006223442, AS-46667, SY050047, DB-121188, CS-0146301, D2496, E10067, EN300-1842440

1,3-Diethynylbenzene serves as a key precursor in the synthesis of conjugated polymers for organic electronics, such as OLEDs and photovoltaic devices. Its ethynyl groups enable efficient cross-coupling reactions, facilitating the construction of extended π-conjugated systems. Researchers also utilize it to develop metal-organic frameworks (MOFs) and molecular scaffolds with tailored optoelectronic properties. In materials science, it contributes to the design of rigid-rod polymers and carbon-rich architectures.

Safety and Hazards

GHS Hazard Statements

• Not Classified
• Reported as not meeting GHS hazard criteria by 39 of 40 companies (only 2.5% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Hazard Classes and Categories

• Not Classified

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