for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Sonrisas canónicas | C1=CC(=CC=C1[N+](=O)[O-])[O-].O.O.[Na+] |
|---|---|
| IUPAC Name | sodium;4-nitrophenolate;dihydrate |
| InChIKey | ZJYUDTPVWWBKPV-UHFFFAOYSA-M |
| INCHI | 1S/C6H5NO3.Na.2H2O/c8-6-3-1-5(2-4-6)7(9)10;;;/h1-4,8H;;2*1H2/q;+1;;/p-1 |
| Isómeros SMILES | C1=CC(=CC=C1[N+](=O)[O-])[O-].O.O.[Na+] |
| Número ONU | 3181 |
| Peso molecular | 197.12 |
| Reaxy-Rn | 3922134 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3922134&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Phenols |
| Subclass | Nitrophenols |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Metal p-nitrophenoxides |
| Alternative Parents | Nitrobenzenes Nitroaromatic compounds Phenoxides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Metal p-nitrophenoxide - Nitrobenzene - Nitroaromatic compound - Phenoxide - Monocyclic benzene moiety - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic alkali metal salt - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as metal p-nitrophenoxides. These are para-nitrophenoxide derivatives that are linked to a metal atom. |
| External Descriptors | Not available |
| Punto de inflamación (°F) | 194.0 °F - closed cup |
|---|---|
| Punto de inflamación (°C) | 90 °C - closed cup |
| Peso molecular | 197.120 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 0 |
| Exact Mass | 197.03 Da |
| Monoisotopic Mass | 197.03 Da |
| Topological Polar Surface Area | 70.900 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 123.000 |
| 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 |
