≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships FedEx DG Service 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.
The Heptanenitrile is used for producing 2, 3, 5, 6-tetrahexyl-pyrazine. As intermediates.
| Pubchem Sid | 504752317 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504752317 |
| Canonical Smiles | CCCCCCC#N |
| IUPAC Name | heptanenitrile |
| InChIKey | SDAXRHHPNYTELL-UHFFFAOYSA-N |
| INCHI | 1S/C7H13N/c1-2-3-4-5-6-7-8/h2-6H2,1H3 |
| Isomeric SMILES | CCCCCCC#N |
| Molecular Weight | 111.19 |
| Beilstein | 2341 |
| Reaxy-Rn | 1740405 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1740405&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 |
|---|---|---|---|
 K2414274 | Certificate of Analysis | Jul 04, 2024 | H156965 |
| H2303897 | Certificate of Analysis | Jul 14, 2023 | H156965 |
| H2303898 | Certificate of Analysis | Jul 14, 2023 | H156965 |
| H2303900 | Certificate of Analysis | Jul 14, 2023 | H156965 |
| H2303905 | Certificate of Analysis | Jul 14, 2023 | H156965 |
| K2418067 | Certificate of Analysis | Jul 14, 2023 | H156965 |
| Solubility | Slightly soluble in water. |
|---|---|
| Refractive Index | 1.41 |
| Flash Point(°F) | 136°F |
| Flash Point(°C) | 58°C(lit.) |
| Boil Point(°C) | 183 °C |
| Melt Point(°C) | -64 °C |
| Molecular Weight | 111.180 g/mol |
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 111.105 Da |
| Monoisotopic Mass | 111.105 Da |
| Topological Polar Surface Area | 23.800 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 77.600 |
| 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. Lili Cao, Pengpeng Jia, Haotian Liu, Shengmei Kang, Shaotong Jiang, Min Pang. (2023) Effects of High-Canolol Phenolic Extracts on Fragrant Rapeseed Oil Quality and Flavor Compounds during Frying. Foods, 12 (4): (827). [PMID:36832902] [10.3390/foods12040827] |
