≥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.
| Canonical Smiles | CC1=C(C(C2=C(N1)C3CCN2CC3)C4=C(C=C(C=C4)Cl)Cl)C#N |
|---|---|
| IUPAC Name | 3-(2,4-dichlorophenyl)-5-methyl-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),4-diene-4-carbonitrile |
| InChIKey | QAZGHRTZNXMOSS-UHFFFAOYSA-N |
| INCHI | 1S/C18H17Cl2N3/c1-10-14(9-21)16(13-3-2-12(19)8-15(13)20)18-17(22-10)11-4-6-23(18)7-5-11/h2-3,8,11,16,22H,4-7H2,1H3 |
| Isomeric SMILES | CC1=C(C(C2=C(N1)C3CCN2CC3)C4=C(C=C(C=C4)Cl)Cl)C#N |
| PubChem CID | 3824660 |
| Molecular Weight | 346.26 |
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 | Diazanaphthalenes |
| Subclass | Naphthyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthyridines |
| Alternative Parents | Dichlorobenzenes Tetrahydropyridines Dihydropyridines Piperidines Aryl chlorides Trialkylamines Nitriles Enamines Dialkylamines Azacyclic compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Naphthyridine - 1,3-dichlorobenzene - Chlorobenzene - Tetrahydropyridine - Dihydropyridine - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Piperidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Secondary aliphatic amine - Secondary amine - Enamine - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Cyanide - Organochloride - Organohalogen compound - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as naphthyridines. These are compounds containing a naphthyridine moiety, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings. The naphthyridine skeleton can also be described as an assembly two fused pyridine rings, which do not share their nitrogen atom. |
| External Descriptors | Not available |
| Molecular Weight | 346.200 g/mol |
|---|---|
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 345.08 Da |
| Monoisotopic Mass | 345.08 Da |
| Topological Polar Surface Area | 39.100 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 621.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![3-(2,4-Dichlorophenyl)-5-methyl-1,6-diazatricyclo[6.2.2.0~2,7~]dodeca-2(7),4-diene-4-carbonitrile - ≥90% , CAS No.866134-70-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)