| Pubchem Sid | 488203009 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488203009 |
| Canonical Smiles | CC1=CC(=CC(=C1)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)[O-])O)C.[Na+] |
| IUPAC Name | sodium;5-[(3,5-dimethylphenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonate |
| InChIKey | QTNPMIVHCISUCN-UHFFFAOYSA-M |
| INCHI | 1S/C18H16N2O4S.Na/c1-11-7-12(2)9-14(8-11)19-20-18-16-5-4-15(25(22,23)24)10-13(16)3-6-17(18)21;/h3-10,21H,1-2H3,(H,22,23,24);/q;+1/p-1 |
| Isomeric SMILES | CC1=CC(=CC(=C1)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)[O-])O)C.[Na+] |
| Molecular Weight | 378.37 |
| Reaxy-Rn | 7242408 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7242408&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 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 sodium salts Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | 2-naphthalene sulfonate - 2-naphthalene sulfonic acid or derivatives - 2-naphthol - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azo compound - Organic alkali metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2308735 | Certificate of Analysis | Dec 12, 2025 | A303895 |
| I2201178 | Certificate of Analysis | Jun 10, 2025 | A303895 |
| G2215071 | Certificate of Analysis | May 14, 2025 | A303895 |
| G2215085 | Certificate of Analysis | May 14, 2025 | A303895 |
| Molecular Weight | 378.400 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 378.065 Da |
| Monoisotopic Mass | 378.065 Da |
| Topological Polar Surface Area | 111.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 584.000 |
| 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 |
