Determine the necessary mass, volume, or concentration for preparing a solution.
≥97%(HPLC) 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.
| Canonical Smiles | C1=CC(=C(C=C1O)O)N=NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O |
|---|---|
| IUPAC Name | 4-[(2,4-dihydroxyphenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid |
| InChIKey | BTEWRTUJKSQHIE-UHFFFAOYSA-N |
| INCHI | 1S/C16H12N2O9S2/c19-9-1-2-12(14(20)5-9)17-18-13-6-10(28(22,23)24)3-8-4-11(29(25,26)27)7-15(21)16(8)13/h1-7,19-21H,(H,22,23,24)(H,25,26,27) |
| Isomeric SMILES | C1=CC(=C(C=C1O)O)N=NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O |
| Molecular Weight | 484.36 |
| Reaxy-Rn | 1898071 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1898071&ln= |
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 | 2-naphthalene sulfonates |
| Alternative Parents | 2-naphthalene sulfonic acids and derivatives Naphthols and derivatives 1-sulfo,2-unsubstituted aromatic compounds Resorcinols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Sulfonyls Organosulfonic acids Azo compounds Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | 2-naphthalene sulfonate - 2-naphthalene sulfonic acid or derivatives - 1-naphthol - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Resorcinol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azo compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 440.400 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 4 |
| Exact Mass | 439.998 Da |
| Monoisotopic Mass | 439.998 Da |
| Topological Polar Surface Area | 211.000 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 820.000 |
| 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 | 1 |