≥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 | 488185972 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488185972 |
| Canonical Smiles | C1CCC(=CC1)CC#N |
| IUPAC Name | 2-(cyclohexen-1-yl)acetonitrile |
| InChIKey | OYEXEQFKIPJKJK-UHFFFAOYSA-N |
| INCHI | 1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h4H,1-3,5-6H2 |
| Isomeric SMILES | C1CCC(=CC1)CC#N |
| Molecular Weight | 121.18 |
| Reaxy-Rn | 2324155 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2324155&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 homomonocyclic compounds |
| Substituents | Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aliphatic homomonocyclic 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 |
|---|---|---|---|
 C2605215 | Certificate of Analysis | Mar 16, 2026 | C122415 |
| H2508070 | Certificate of Analysis | Aug 18, 2025 | C122415 |
| B23071104 | Certificate of Analysis | Nov 11, 2024 | C122415 |
| B23071097 | Certificate of Analysis | Nov 11, 2024 | C122415 |
| B23071051 | Certificate of Analysis | Nov 07, 2024 | C122415 |
| B23071085 | Certificate of Analysis | Nov 07, 2024 | C122415 |
| F2514022 | Certificate of Analysis | Nov 07, 2024 | C122415 |
| Flash Point(°C) | 84°C |
|---|---|
| Boil Point(°C) | 144°C/90mmHg |
| Molecular Weight | 121.180 g/mol |
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 121.089 Da |
| Monoisotopic Mass | 121.089 Da |
| Topological Polar Surface Area | 23.800 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 159.000 |
| 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 |
