Determine the necessary mass, volume, or concentration for preparing a solution.
≥98%(HPLC)(T) 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 | 504772482 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504772482 |
| Sonrisas canónicas | CCCC[N+](CCCC)(CCCC)CCCC.CC1=CC(=C(C=C1)[S-])[S-].CC1=CC(=C(C=C1)[S-])[S-].[Ni+3] |
| IUPAC Name | 4-methylbenzene-1,2-dithiolate;nickel(3+);tetrabutylazanium |
| InChIKey | OGDOOYYRRAJVOI-UHFFFAOYSA-J |
| INCHI | 1S/C16H36N.2C7H8S2.Ni/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*1-5-2-3-6(8)7(9)4-5;/h5-16H2,1-4H3;2*2-4,8-9H,1H3;/q+1;;;+3/p-4 |
| Isómeros SMILES | CCCC[N+](CCCC)(CCCC)CCCC.CC1=CC(=C(C=C1)[S-])[S-].CC1=CC(=C(C=C1)[S-])[S-].[Ni+3] |
| PubChem CID | 86280311 |
| Peso molecular | 609.65 |
| Reaxy-Rn | 16810342 |
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 |
| Clase | Benzene and substituted derivatives |
| Subclass | Toluenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Toluenes |
| Alternative Parents | Tetraalkylammonium salts Organic transition metal salts Organosulfur compounds Hydrocarbon derivatives Amines Organic cations |
| Molecular Framework | Not available |
| Substituents | Toluene - Tetraalkylammonium salt - Quaternary ammonium salt - Organic transition metal salt - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organosulfur compound - Organonitrogen compound - Amine - Organic cation - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group. |
| External Descriptors | Not available |
| Punto de fusión (°C) | 148 °C |
|---|---|
| Peso molecular | 609.700 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 12 |
| Exact Mass | 608.202 Da |
| Monoisotopic Mass | 608.202 Da |
| Topological Polar Surface Area | 4.000 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 332.000 |
| 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 | 4 |