≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
| Pubchem Sid | 504763614 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504763614 |
| Canonical Smiles | C(C=CCC#N)C#N |
| IUPAC Name | (E)-hex-3-enedinitrile |
| InChIKey | BSVZXPLUMFUWHW-OWOJBTEDSA-N |
| INCHI | 1S/C6H6N2/c7-5-3-1-2-4-6-8/h1-2H,3-4H2/b2-1+ |
| Isomeric SMILES | C(/C=C/CC#N)C#N |
| WGK Germany | 3 |
| RTECS | MP6750000 |
| Molecular Weight | 106.13 |
| Beilstein | 1720230 |
| Reaxy-Rn | 1740276 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1740276&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 |
| Class | Organonitrogen compounds |
| Subclass | Organic cyanides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitriles |
| Alternative Parents | Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound |
| Description | 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 | Date | Item |
|---|---|---|---|
 J1710079 | Certificate of Analysis | May 07, 2025 | H157041 |
| E2128320 | Certificate of Analysis | Mar 03, 2025 | H157041 |
| E2128322 | Certificate of Analysis | Mar 03, 2025 | H157041 |
| G2321053 | Certificate of Analysis | Sep 08, 2022 | H157041 |
| K2201260 | Certificate of Analysis | Sep 08, 2022 | H157041 |
| K2201262 | Certificate of Analysis | Sep 08, 2022 | H157041 |
| K2201263 | Certificate of Analysis | Sep 08, 2022 | H157041 |
| K2201265 | Certificate of Analysis | Sep 08, 2022 | H157041 |
| K2201457 | Certificate of Analysis | Sep 08, 2022 | H157041 |
| E2128319 | Certificate of Analysis | Jun 02, 2021 | H157041 |
| G2321036 | Certificate of Analysis | Jun 02, 2021 | H157041 |
| Solubility | Soluble in methanol |
|---|---|
| Boil Point(°C) | 120 °C/0.7 mmHg |
| Melt Point(°C) | 75-77℃ |
| Molecular Weight | 106.130 g/mol |
| XLogP3 | 0.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 106.053 Da |
| Monoisotopic Mass | 106.053 Da |
| Topological Polar Surface Area | 47.600 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 141.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
