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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 | 488200523 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488200523 |
| Canonical Smiles | C1=CC=C(C=C1)C(=O)N[O-].[Na+] |
| IUPAC Name | sodium;N-oxidobenzamide |
| InChIKey | FYZUCVSCZVWCBR-UHFFFAOYSA-N |
| INCHI | 1S/C7H6NO2.Na/c9-7(8-10)6-4-2-1-3-5-6;/h1-5H,(H-,8,9,10);/q-1;+1 |
| Isomeric SMILES | C1=CC=C(C=C1)C(=O)N[O-].[Na+] |
| PubChem CID | 23684627 |
| Molecular Weight | 159.12(anhydrous basis) |
| Reaxy-Rn | 6088160 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoic acids and derivatives |
| Alternative Parents | Benzoyl derivatives Carboxylic acids and derivatives Organooxygen compounds Organonitrogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoic acid or derivatives - Benzoyl - Organic alkali metal salt - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Organonitrogen compound - Organic cation - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring. |
| 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 |
|---|---|---|---|
| Certificate of Analysis | Jun 19, 2024 | S161112 | |
| Certificate of Analysis | Jun 19, 2024 | S161112 | |
| Certificate of Analysis | Jun 23, 2022 | S161112 | |
| Certificate of Analysis | Jun 23, 2022 | S161112 | |
| Certificate of Analysis | Jun 23, 2022 | S161112 | |
| Certificate of Analysis | Jun 23, 2022 | S161112 | |
| Certificate of Analysis | Jun 23, 2022 | S161112 | |
| Certificate of Analysis | Jun 23, 2022 | S161112 |
| Molecular Weight | 159.120 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 159.03 Da |
| Monoisotopic Mass | 159.03 Da |
| Topological Polar Surface Area | 52.200 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 124.000 |
| 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 | 2 |