≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | C1CN(CCN1)C2=C(C(=O)N(N=C2)C3=C(C=C(C=N3)C(F)(F)F)Cl)Cl |
|---|---|
| IUPAC Name | 4-chloro-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-piperazin-1-ylpyridazin-3-one |
| InChIKey | WCFVYUSSELVKRM-UHFFFAOYSA-N |
| INCHI | 1S/C14H12Cl2F3N5O/c15-9-5-8(14(17,18)19)6-21-12(9)24-13(25)11(16)10(7-22-24)23-3-1-20-2-4-23/h5-7,20H,1-4H2 |
| Isomeric SMILES | C1CN(CCN1)C2=C(C(=O)N(N=C2)C3=C(C=C(C=N3)C(F)(F)F)Cl)Cl |
| PubChem CID | 1471400 |
| Molecular Weight | 394.18 |
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 | Organoheterocyclic compounds |
| Class | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-arylpiperazines |
| Alternative Parents | Dialkylarylamines Pyridazinones Aminopyridazines Pyridines and derivatives Aryl chlorides Vinylogous amides Heteroaromatic compounds Lactams Azacyclic compounds Dialkylamines Organochlorides Organofluorides Organopnictogen compounds Alkyl fluorides Organooxygen compounds Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N-arylpiperazine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aminopyridazine - Pyridazinone - Aryl chloride - Aryl halide - Pyridine - Pyridazine - Heteroaromatic compound - Vinylogous amide - Tertiary amine - Lactam - Azacycle - Secondary aliphatic amine - Secondary amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl halide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Alkyl fluoride - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group. |
| External Descriptors | Not available |
| Molecular Weight | 394.200 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 2 |
| Exact Mass | 393.037 Da |
| Monoisotopic Mass | 393.037 Da |
| Topological Polar Surface Area | 60.800 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 592.000 |
| 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 |
![4-Chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-piperazino-3(2H)-pyridazinone - ≥95% , CAS No.338399-95-4](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)