Intensity:200% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Desiccated 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC(=O)NC1=CC(=C(C=C1)N=NC2=C(C=CC3=CC(=CC(=C32)O)S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Na+].[Na+] |
|---|---|
| InChIKey | YAGIKUGDXINHLL-UHFFFAOYSA-L |
| INCHI | 1S/C18H16N4O8S2.2Na/c1-9(23)20-11-3-5-14(16(7-11)32(28,29)30)21-22-18-13(19)4-2-10-6-12(31(25,26)27)8-15(24)17(10)18;;/h2-8,24H,19H2,1H3,(H,20,23)(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2 |
| Isomeric SMILES | CC(=O)NC1=CC(=C(C=C1)N=NC2=C(C=CC3=CC(=CC(=C32)O)S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Na+].[Na+] |
| Molecular Weight | 604.5 |
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 |
| 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 Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Phenoxides Sulfonyls Organosulfonic acids Azo compounds Carboximidic acids Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Primary amines |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | 2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - Benzenesulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Phenoxide - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid - Organosulfonic acid or derivatives - Sulfonyl - Azo compound - Organic alkali metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidic acid derivative - Carboximidic acid - Amine - Organic salt - Primary amine - Organic sodium salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen 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 | 524.400 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 3 |
| Exact Mass | 524.005 Da |
| Monoisotopic Mass | 524.005 Da |
| Topological Polar Surface Area | 231.000 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 903.000 |
| 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 | 3 |
| 1. Yaohui Xu, Yuting Li, Quanhui Hou, Liangjuan Gao, Zhao Ding. (2025) One-Step Solvothermal Synthesis of Fe3O4 Acicular Aggregates Induced by Reaction Medium and Urea for Photocatalytic Degradation of Azo Dyes. Nanomaterials, 15 (5): (341). [PMID:40072144] [10.3390/nano15050341] |
