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≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Cited in 59 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Terminal acetylene used in the conversion of nitrones to alkynyl hydroxyl amines in the presence of trimethylaluminum.Phenylacetylene was used in a study to investigate the mechanism of product formation during the palladium-catalysed phenylacetylene oxidative carbonylation reaction.
| Canonical Smiles | C#CC1=CC=CC=C1 |
|---|---|
| IUPAC Name | ethynylbenzene |
| InChIKey | UEXCJVNBTNXOEH-UHFFFAOYSA-N |
| INCHI | 1S/C8H6/c1-2-8-6-4-3-5-7-8/h1,3-7H |
| Isomeric SMILES | C#CC1=CC=CC=C1 |
| WGK Germany | 1 |
| RTECS | DA0780000 |
| Alternate CAS | 126716-66-3 |
| UN Number | 2920 |
| Packing Group | II |
| Molecular Weight | 102.13 |
| Beilstein | 605461 |
| Reaxy-Rn | 605461 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605461&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzene and substituted derivatives |
| Alternative Parents | Aromatic hydrocarbons Acetylides Acetylenes |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Monocyclic benzene moiety - Aromatic hydrocarbon - Acetylide - Unsaturated hydrocarbon - Acetylene - Hydrocarbon - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Mar 14, 2026 | P107030 | |
| Certificate of Analysis | Mar 14, 2026 | P107030 | |
| Certificate of Analysis | Mar 14, 2026 | P107030 | |
| Certificate of Analysis | Mar 14, 2026 | P107030 | |
| Certificate of Analysis | Feb 04, 2026 | P107030 | |
| Certificate of Analysis | Feb 04, 2026 | P107030 | |
| Certificate of Analysis | Dec 12, 2025 | P107030 | |
| Certificate of Analysis | Aug 26, 2025 | P107030 | |
| Certificate of Analysis | Aug 26, 2025 | P107030 | |
| Certificate of Analysis | Aug 26, 2025 | P107030 | |
| Certificate of Analysis | Aug 26, 2025 | P107030 | |
| Certificate of Analysis | May 09, 2025 | P107030 | |
| Certificate of Analysis | Jan 13, 2025 | P107030 | |
| Certificate of Analysis | Jan 13, 2025 | P107030 | |
| Certificate of Analysis | Jan 13, 2025 | P107030 | |
| Certificate of Analysis | Jan 13, 2025 | P107030 | |
| Certificate of Analysis | Nov 16, 2024 | P107030 | |
| Certificate of Analysis | Nov 16, 2024 | P107030 | |
| Certificate of Analysis | Nov 16, 2024 | P107030 | |
| Certificate of Analysis | Jul 12, 2024 | P107030 | |
| Certificate of Analysis | Jul 12, 2024 | P107030 | |
| Certificate of Analysis | May 20, 2024 | P107030 | |
| Certificate of Analysis | May 20, 2024 | P107030 | |
| Certificate of Analysis | Jan 13, 2023 | P107030 | |
| Certificate of Analysis | Jan 13, 2023 | P107030 | |
| Certificate of Analysis | Jul 25, 2022 | P107030 | |
| Certificate of Analysis | Apr 22, 2021 | P107030 |
| Solubility | Immiscible with water. |
|---|---|
| Sensitivity | Heat & Light & Moisture & air sensitive. |
| Refractive Index | 1.547-1.55 |
| Flash Point(°F) | 80.6 °F |
| Flash Point(°C) | 31℃ |
| Boil Point(°C) | 142-144°C |
| Melt Point(°C) | -44.8°C |
| Molecular Weight | 102.130 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 1 |
| Exact Mass | 102.047 Da |
| Monoisotopic Mass | 102.047 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 98.500 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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