for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | 488202946 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488202946 |
| Canonical Smiles | C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)[O-])N=NC3=C(C(=CC4=CC=CC=C43)C(=O)O)[O-].[Ca+2] |
| IUPAC Name | calcium;2-[(3-carboxy-2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate |
| InChIKey | OVHKKOQGPOYPLY-UHFFFAOYSA-L |
| INCHI | 1S/C21H14N2O6S.Ca/c24-19-16(21(25)26)11-13-6-2-3-7-14(13)18(19)23-22-17-10-9-12-5-1-4-8-15(12)20(17)30(27,28)29;/h1-11,24H,(H,25,26)(H,27,28,29);/q;+2/p-2 |
| Isomeric SMILES | C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)[O-])N=NC3=C(C(=CC4=CC=CC=C43)C(=O)O)[O-].[Ca+2] |
| PubChem CID | 135487685 |
| Molecular Weight | 460.47 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Naphthalenes |
| Subclass | Naphthalene sulfonic acids and derivatives |
| Intermediate Tree Nodes | Naphthalene sulfonates |
| Direct Parent | 1-naphthalene sulfonates |
| Alternative Parents | 1-naphthalene sulfonic acids and derivatives Naphthalenecarboxylic acids Arylsulfonic acids and derivatives Phenoxides Vinylogous acids Sulfonyls Organosulfonic acids Azo compounds Carboxylic acid salts Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Organic calcium salts Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic cations |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | 1-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Arylsulfonic acid or derivatives - Phenoxide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Vinylogous acid - Azo compound - Carboxylic acid salt - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid - Organic calcium salt - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organic cation - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 1-position. Naphthalene is a bicyclic compound that is made up of two fused 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 |
|---|---|---|---|
 G2303120 | Certificate of Analysis | Apr 03, 2026 | P341829 |
| G2303133 | Certificate of Analysis | Apr 03, 2026 | P341829 |
| G2303141 | Certificate of Analysis | Apr 03, 2026 | P341829 |
| G2303239 | Certificate of Analysis | Apr 03, 2026 | P341829 |
| G2303240 | Certificate of Analysis | Apr 03, 2026 | P341829 |
| G2303246 | Certificate of Analysis | Apr 03, 2026 | P341829 |
| Melt Point(°C) | >300° C |
|---|---|
| Molecular Weight | 460.500 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 460.004 Da |
| Monoisotopic Mass | 460.004 Da |
| Topological Polar Surface Area | 151.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 753.000 |
| 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 |
