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Basic Description
| Synonyms | A834053 | Amyl acetylene | Q2173541 | n-C5H11C.$.CH | UNII-Z3NF9SSH6K | MFCD00009529 | 1-Heptyne, 98% | FT-0607880 | NSC9710 | NSC-9710 | EINECS 211-051-5 | 1-Heptyne--d5 | NSC 9710 | hept-1-yne | InChI=1/C7H12/c1-3-5-7-6-4-2/h1H,4-7H2,2H | Heptyne | EN30 |
|---|---|
| Specifications & Purity | ≥97% |
| Shipped In | Normal |
| Product Description |
The hydrogenation of 1-heptyne with palladium, platinum and ruthenium supported on activated carbon as catalysts, was studied. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
- Superclass Acetylides
| Kingdom | Organic compounds |
|---|---|
| Superclass | Acetylides |
| Class | Not available |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Acetylides |
| Alternative Parents | Terminal alkynes Unsaturated aliphatic hydrocarbons |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Acetylide - Monosubstituted alkyne - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Alkyne - 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 |
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Names and Identifiers
| Pubchem Sid | 504752311 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504752311 |
| IUPAC Name | hept-1-yne |
| INCHI | InChI=1S/C7H12/c1-3-5-7-6-4-2/h1H,4-7H2,2H3 |
| InChIKey | YVXHZKKCZYLQOP-UHFFFAOYSA-N |
| Smiles | CCCCCC#C |
| Isomeric SMILES | CCCCCC#C |
| WGK Germany | 3 |
| UN Number | 3295 |
| Molecular Weight | 96.17 |
| Beilstein | 1733518 |
| Reaxy-Rn | 1733518 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1733518&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 J2325359 |
Certificate of Analysis | Jul 09, 2025 | H100842 |
| J2325360 |
Certificate of Analysis | Jul 09, 2025 | H100842 |
| H2330617 |
Certificate of Analysis | Jun 10, 2025 | H100842 |
| H2330618 |
Certificate of Analysis | Jun 10, 2025 | H100842 |
| H2330619 |
Certificate of Analysis | Jun 10, 2025 | H100842 |
| H2330649 |
Certificate of Analysis | Jun 10, 2025 | H100842 |
| L2022212 |
Certificate of Analysis | Sep 21, 2022 | H100842 |
| L2022211 |
Certificate of Analysis | Sep 21, 2022 | H100842 |
Chemical and Physical Properties
| Solubility | Soluble in organic solvents. Insoluble in water. |
|---|---|
| Refractive Index | 1.407-1.409 |
| Flash Point(°F) | 28.4 °F |
| Flash Point(°C) | -2℃ |
| Boil Point(°C) | 99-100°C |
| Melt Point(°C) | -81℃ |
| Molecular Weight | 96.170 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 3 |
| Exact Mass | 96.0939 Da |
| Monoisotopic Mass | 96.0939 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 63.400 |
| 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 |
Citations of This Product
| 1. Lingqi Huang, Kecheng Hu, Ganggang Ye, Zhibin Ye. (2021) Highly selective semi-hydrogenation of alkynes with a Pd nanocatalyst modified with sulfide-based solid-phase ligands. Molecular Catalysis, 506 (111535). |
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