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≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | COC(=O)C1=CC2=C(C=C1)N=C(C=C2Cl)Cl |
|---|---|
| IUPAC Name | methyl 2,4-dichloroquinoline-6-carboxylate |
| InChIKey | UYGJEIXOUMWPLS-UHFFFAOYSA-N |
| INCHI | 1S/C11H7Cl2NO2/c1-16-11(15)6-2-3-9-7(4-6)8(12)5-10(13)14-9/h2-5H,1H3 |
| Isomeric SMILES | COC(=O)C1=CC2=C(C=C1)N=C(C=C2Cl)Cl |
| Alternate CAS | 1260676-14-9 |
| PubChem CID | 53429394 |
| Molecular Weight | 256.08 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Quinolines and derivatives |
| Subclass | Haloquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Chloroquinolines |
| Alternative Parents | Polyhalopyridines 2-halopyridines Benzenoids Aryl chlorides Methyl esters Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Chloroquinoline - Polyhalopyridine - 2-halopyridine - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as chloroquinolines. These are compounds containing a quinoline moiety, which carries one or more chlorine atoms. |
| External Descriptors | Not available |
| Molecular Weight | 256.079 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 254.985 Da |
| Monoisotopic Mass | 254.985 Da |
| Topological Polar Surface Area | 39.200 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 275.000 |
| 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 |