≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
1,7-Octadiyne is a terminal bis-alkyne and participates in the formation of uranium(IV) vinyl complexes. It reacts with frustrated Lewis pair P(o-tolyl)3/B(C6F5)3 by acetylene C-C coupling to yield the zwitterionic product. It undergoes the reductive cyclization during reaction with Re2Cl4(μ-dppm)2 (dppm = Ph2PCH2PPh2) and affords quadruply bonded dirhenium(III) complex Re2Cl3(μ,η2-C8H7)(μ-dppm)2.
| Pubchem Sid | 488184472 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488184472 |
| Canonical Smiles | C#CCCCCC#C |
| IUPAC Name | octa-1,7-diyne |
| InChIKey | DSOJWVLXZNRKCS-UHFFFAOYSA-N |
| INCHI | 1S/C8H10/c1-3-5-7-8-6-4-2/h1-2H,5-8H2 |
| Isomeric SMILES | C#CCCCCC#C |
| WGK Germany | 3 |
| UN Number | 3295 |
| Molecular Weight | 106.17 |
| Beilstein | 1(2)248 |
| Reaxy-Rn | 1697275 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697275&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Acetylides |
| Class | Not available |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Acetylides |
| Alternative Parents | Unsaturated aliphatic hydrocarbons Acyclic acetylenes |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Acetylide - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Acyclic acetylene - Acetylene - Hydrocarbon - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as acetylides. These are compounds arising by replacement of one or both hydrogen atoms of acetylene (ethyne) by a metal or other cationic group. E.g. NaC#CH monosodium acetylide. By extension, analogous compounds derived from terminal acetylenes, RC#CH. The class is limited here to derivatives of acetylene where the hydrogen atom is replaced with an element with similar or lower electronegativity that carbon. |
| 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 |
|---|---|---|---|
 E2310716 | Certificate of Analysis | Jan 22, 2025 | O110225 |
| E2310717 | Certificate of Analysis | Jan 22, 2025 | O110225 |
| E2310718 | Certificate of Analysis | Jan 22, 2025 | O110225 |
| E2310721 | Certificate of Analysis | Jan 22, 2025 | O110225 |
| E2310748 | Certificate of Analysis | Jan 22, 2025 | O110225 |
| E2310751 | Certificate of Analysis | Jan 22, 2025 | O110225 |
| Solubility | Not miscible or difficult to mix. |
|---|---|
| Refractive Index | 1.446 |
| Flash Point(°F) | 73.4 °F |
| Flash Point(°C) | 23 °C |
| Boil Point(°C) | 135-136°C |
| Molecular Weight | 106.160 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 3 |
| Exact Mass | 106.078 Da |
| Monoisotopic Mass | 106.078 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 107.000 |
| 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 |
| 1. Junnan He, Nan Zheng, Dan Xie, Yubin Zheng, Wangze Song. (2019) Multicomponent polymerization toward biodegradable polymers with diverse responsiveness in tumor microenvironments. Polymer Chemistry, 11 (6): (1198-1210). [PMID:] [10.1039/C9PY01576K] |
