Methyl 5,6-dichloropyridazine-3-carboxylate
Product Specifications
- CAS
- 1591827-51-8
- MF
- C6H4Cl2N2O2
- Appearance
- yellow to off-white solid
- Synonym(s)
- 3-Pyridazinecarboxylic acid, 5,6-dichloro-, methyl ester
- Shipping
- ambient temperature
- Storage
- 2-8°C
PubChem Title and IUPAC name both identify methyl 5,6-dichloropyridazine-3-carboxylate under CID 86715229. The corresponding CAS is 1591827-51-8 and the molecular formula is C6H4Cl2N2O2. SMILES COC(=O)C1=NN=C(C(=C1)Cl)Cl and InChIKey VPTUKZREOXVXTE-UHFFFAOYSA-N match the current catalog structure exactly.
“Pyridazine-3-carboxylic acid methyl ester” and “methyl pyridazine-3-carboxylate” are two naming forms for the same methyl ester connectivity. The ring contains two adjacent nitrogen atoms, chlorines at positions 5 and 6, and the carboxylate carbon at position 3. One oxygen is carbonyl-bound and the other connects that carbonyl to the methyl group. Formula C6H4Cl2N2O2 and the explicit SMILES confirm a single neutral molecule, not an acid plus a separate methyl fragment. The methyl ester is covalently integrated into the recorded structure. Both chlorines are ring-bound rather than represented as chloride counterions. No salt component or stereochemical layer is present.
For a focused inquiry, state CAS 1591827-51-8 and the preferred methyl-carboxylate name. Include the amount being considered, contact details, and any question about identity documentation. PubChem CID 86715229 and InChIKey VPTUKZREOXVXTE-UHFFFAOYSA-N offer exact cross-checks on both chlorine positions and ester bonding. Rlavie can link the request to this record through those values. The older “carboxylic acid methyl ester” wording may remain a synonym, while the H1 adopts the standardized PubChem form.