≥97% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Description
5-Hexynenitrile was used in the synthesis of annelated symmetric and asymmetric 3,3′-disubstituted 2,2′-bipyridines by cobalt(I)-catalyzed [2+2+2] cycloadditions with 1,3-diynes.
| Pubchem Sid | 488188049 |
|---|---|
| Sorrisos canónicos | C#CCCCC#N |
| IUPAC Name | hex-5-ynenitrile |
| InChIKey | JZYKFLLRVPPISG-UHFFFAOYSA-N |
| INCHI | 1S/C6H7N/c1-2-3-4-5-6-7/h1H,3-5H2 |
| SMILES isoméricas | C#CCCCC#N |
| Número UN | 1993 |
| Grupo de embalagem | III |
| Peso molecular | 93.12 |
| Reaxy-Rn | 1735926 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1735926&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 | Organic nitrogen compounds |
| Classe | Organonitrogen compounds |
| Subclass | Organic cyanides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitriles |
| Alternative Parents | Acetylides Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Acetylide - Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound |
| Descrição | This compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Data | Item |
|---|---|---|---|
 E23061083 | Certificate of Analysis | Apr 01, 2023 | H468765 |
| E23061084 | Certificate of Analysis | Apr 01, 2023 | H468765 |
| E23061085 | Certificate of Analysis | Apr 01, 2023 | H468765 |
| E23061093 | Certificate of Analysis | Apr 01, 2023 | H468765 |
| E23061101 | Certificate of Analysis | Apr 01, 2023 | H468765 |
| E23061102 | Certificate of Analysis | Apr 01, 2023 | H468765 |
| K2511078 | Certificate of Analysis | Apr 01, 2023 | H468765 |
| Índice de refração | 1.44 |
|---|---|
| Ponto de inflamação (°F) | 107.6 °F |
| Ponto de inflamação (°C) | 42 °C |
| Ponto de ebulição (°C) | 115-117° C (lit.) |
| Peso molecular | 93.130 g/mol |
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 93.0578 Da |
| Monoisotopic Mass | 93.0578 Da |
| Topological Polar Surface Area | 23.800 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 118.000 |
| 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 |
