≥95% 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 | CC1=CC(=C(C=C1Cl)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
|---|---|
| IUPAC Name | disodium;2-[(3-carboxy-2-oxidonaphthalen-1-yl)diazenyl]-4-chloro-5-methylbenzenesulfonate |
| InChIKey | NDEREBNOSVNICA-UHFFFAOYSA-L |
| INCHI | 1S/C18H13ClN2O6S.2Na/c1-9-6-15(28(25,26)27)14(8-13(9)19)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24;;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);;/q;2*+1/p-2 |
| Isomeric SMILES | CC1=CC(=C(C=C1Cl)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
| Alternate CAS | 3564-21-4 |
| PubChem CID | 135544134 |
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 | Naphthalenecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthalenecarboxylic acids |
| Alternative Parents | Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Toluenes Phenoxides Chlorobenzenes Aryl chlorides Vinylogous acids Sulfonyls Organosulfonic acids Azo compounds Carboxylic acid salts Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Organic metal halides Hydrocarbon derivatives Organic oxides Organooxygen compounds Organic sodium salts Organochlorides Organic cations |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | 2-naphthalenecarboxylic acid - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Chlorobenzene - Halobenzene - Phenoxide - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Vinylogous acid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azo compound - Carboxylic acid salt - Organic metal halide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Organic alkali metal salt - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organic sodium salt - Organochloride - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Organic salt - Organic cation - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 464.800 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 463.982 Da |
| Monoisotopic Mass | 463.982 Da |
| Topological Polar Surface Area | 151.000 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 698.000 |
| 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 |
