≥98%(HPLC) 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=C(C=C(C2=C1NC(=CC2=O)C(=O)[O-])Cl)Cl.[Na+] |
|---|---|
| IUPAC Name | sodium;5,7-dichloro-4-oxo-1H-quinoline-2-carboxylate |
| InChIKey | VPRPMJHKWHCUFW-UHFFFAOYSA-M |
| INCHI | 1S/C10H5Cl2NO3.Na/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14;/h1-3H,(H,13,14)(H,15,16);/q;+1/p-1 |
| Isomeric SMILES | C1=C(C=C(C2=C1NC(=CC2=O)C(=O)[O-])Cl)Cl.[Na+] |
| PubChem CID | 44134672 |
| Molecular Weight | 280.04 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Quinolines and derivatives |
| Subclass | Quinoline carboxylic acids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Quinoline carboxylic acids |
| Alternative Parents | Chloroquinolines Hydroquinolones Hydroquinolines Pyridinecarboxylic acids Aryl chlorides Benzenoids Vinylogous halides Vinylogous amides Heteroaromatic compounds Carboxylic acid salts Azacyclic compounds Carboxylic acids Organic metal halides Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organochlorides Organonitrogen compounds Organic cations |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinoline-2-carboxylic acid - Haloquinoline - Dihydroquinolone - Chloroquinoline - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Vinylogous amide - Vinylogous halide - Heteroaromatic compound - Carboxylic acid salt - Organic metal halide - Carboxylic acid derivative - Carboxylic acid - Organic alkali metal salt - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions. |
| External Descriptors | Not available |
| Solubility | Solvent:1eq. NaOH, Max Conc. mg/mL: 28, Max Conc. mM: 100 |
|---|---|
| Molecular Weight | 280.040 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 278.947 Da |
| Monoisotopic Mass | 278.947 Da |
| Topological Polar Surface Area | 69.200 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 375.000 |
| 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 |
