≥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
The tautomerization rates of 2-nitrocyclohexanone (2-NCH) has been studied spectrophotometrically in several organic aprotic solvents and their binary mixtures.
| Canonical Smiles | C1CCC(=O)C(C1)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 2-nitrocyclohexan-1-one |
| InChIKey | SZNILIWUUKKNPE-UHFFFAOYSA-N |
| INCHI | 1S/C6H9NO3/c8-6-4-2-1-3-5(6)7(9)10/h5H,1-4H2 |
| Isomeric SMILES | C1CCC(=O)C(C1)[N+](=O)[O-] |
| WGK Germany | 3 |
| Molecular Weight | 143.14 |
| Reaxy-Rn | 2045053 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2045053&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 1,3-dipolar compounds |
| Class | Allyl-type 1,3-dipolar organic compounds |
| Subclass | Organic nitro compounds |
| Intermediate Tree Nodes | Not available |
| Direct Parent | C-nitro compounds |
| Alternative Parents | Cyclic ketones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Cyclic ketone - C-nitro compound - Ketone - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as c-nitro compounds. These are compounds having the nitro group, -NO2 (free valence on nitrogen), which is attached to carbon. |
| External Descriptors | Not available |
| Flash Point(°F) | 235.4 °F |
|---|---|
| Flash Point(°C) | 113 °C |
| Melt Point(°C) | 39-43 °C |
| Molecular Weight | 143.140 g/mol |
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 143.058 Da |
| Monoisotopic Mass | 143.058 Da |
| Topological Polar Surface Area | 62.900 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 161.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
