4-Bromo-6-chloro-2-methylpyridazin-3(2H)-one
Product Specifications
- CAS
- 1178884-53-1
- MF
- C5H4BrClN2O
- Appearance
- white solid
- Synonym(s)
- 4-Bromo-6-chloro-2-methyl-2H-pyridazin-3-one; 4-bromo-6-chloro-2-methylpyridazin-3-one; 3(2H)-Pyridazinone, 4-bromo-6-chloro-2-methyl-
- Shipping
- ambient temperature
- Storage
- 2-8°C
4-Bromo-6-chloro-2-methylpyridazin-3(2H)-one identifies CAS 1178884-53-1 and formula C5H4BrClN2O. PubChem assigns the CAS to a single compound, CID 59216474, titled 4-Bromo-6-chloro-2-methyl-2,3-dihydropyridazin-3-one. The site name belongs to that CID’s official synonym collection. The alternative hydrogenation wording leaves the bromine, chlorine, methyl, carbonyl, and adjacent ring nitrogens on one verified graph.
SMILES CN1C(=O)C(=CC(=N1)Cl)Br records methyl substitution on a ring nitrogen, a carbonyl at position 3, bromine at position 4, and chlorine at position 6. InChIKey HXCPMIRSWJJTGV-UHFFFAOYSA-N agrees with the stored InChI and PubChem structure. The elemental formula establishes the presence of both halogens but cannot distinguish their positions; the SMILES and InChI connection layer provide that positional evidence.
For an unambiguous identity check, quote CAS 1178884-53-1 and preserve both halogen locants in the name. A structure drawing should also retain the N-methyl connection and pyridazinone carbonyl represented by CID 59216474. Comparing the drawing with the page SMILES and InChIKey guards against swapping the two halogen sites or selecting a different tautomeric label without verifying its graph. The ring-nitrogen order is independently recoverable from the full InChI connection layer. That same layer fixes the carbonyl-bearing ring atom as well. No property outside this confirmed identifier set is inferred here.