≥90% 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.
| Sonrisas canónicas | CC(=O)C(CC1=CN=C(C=C1)Cl)(CC2=CN=C(C=C2)Cl)C(=O)C |
|---|---|
| IUPAC Name | 3,3-bis[(6-chloropyridin-3-yl)methyl]pentane-2,4-dione |
| InChIKey | OKSGHLHTZFNHCC-UHFFFAOYSA-N |
| INCHI | 1S/C17H16Cl2N2O2/c1-11(22)17(12(2)23,7-13-3-5-15(18)20-9-13)8-14-4-6-16(19)21-10-14/h3-6,9-10H,7-8H2,1-2H3 |
| Isómeros SMILES | CC(=O)C(CC1=CN=C(C=C1)Cl)(CC2=CN=C(C=C2)Cl)C(=O)C |
| PubChem CID | 1474694 |
| Peso molecular | 351.23 |
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 |
| Clase | Pyridines and derivatives |
| Subclass | Halopyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2-halopyridines |
| Alternative Parents | Aryl chlorides Heteroaromatic compounds Ketones Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-halopyridine - Aryl chloride - Aryl halide - Heteroaromatic compound - Ketone - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position by a halogen atom. |
| External Descriptors | Not available |
| Peso molecular | 351.200 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 350.059 Da |
| Monoisotopic Mass | 350.059 Da |
| Topological Polar Surface Area | 59.900 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 404.000 |
| 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 |
![3,3-Bis[(6-chloro-3-pyridinyl)methyl]-2,4-pentanedione - ≥90% , CAS No.865658-84-0](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)