≥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.
| Pubchem Sid | 504754916 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504754916 |
| Canonical Smiles | C1CCC(CC1)(C#N)C2=CC=CC=C2 |
| IUPAC Name | 1-phenylcyclohexane-1-carbonitrile |
| InChIKey | AUXIEQKHXAYAHG-UHFFFAOYSA-N |
| INCHI | 1S/C13H15N/c14-11-13(9-5-2-6-10-13)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-10H2 |
| Isomeric SMILES | C1CCC(CC1)(C#N)C2=CC=CC=C2 |
| PubChem CID | 75148 |
| Molecular Weight | 185.27 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzene and substituted derivatives |
| Alternative Parents | Nitriles Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Monocyclic benzene moiety - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. |
| 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 |
|---|---|---|---|
 J2314154 | Certificate of Analysis | Oct 18, 2023 | P160683 |
| J2314155 | Certificate of Analysis | Oct 18, 2023 | P160683 |
| J2314156 | Certificate of Analysis | Oct 18, 2023 | P160683 |
| J2314157 | Certificate of Analysis | Oct 18, 2023 | P160683 |
| J2314158 | Certificate of Analysis | Oct 18, 2023 | P160683 |
| J2314159 | Certificate of Analysis | Oct 18, 2023 | P160683 |
| J2314160 | Certificate of Analysis | Oct 18, 2023 | P160683 |
| J2314187 | Certificate of Analysis | Oct 18, 2023 | P160683 |
| Refractive Index | 1.53 |
|---|---|
| Flash Point(°C) | 121 °C |
| Boil Point(°C) | 141°C/7mmHg(lit.) |
| Molecular Weight | 185.260 g/mol |
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 185.12 Da |
| Monoisotopic Mass | 185.12 Da |
| Topological Polar Surface Area | 23.800 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 223.000 |
| 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 |
