Ethyl Pyridazine-4-carboxylate
Product Specifications
- CAS
- 39123-39-2
- MF
- C7H8N2O2
- Appearance
- yellow to off-white solid
- Synonym(s)
- 4-Pyridazinecarboxylic acid, ethyl ester；azine-4-ethyl formate
- Shipping
- ambient temperature
- Storage
- 2-8°C
Ethyl Pyridazine-4-carboxylate is associated with CAS 39123-39-2 and molecular formula C7H8N2O2. The CAS resolves to a single PubChem compound, CID 10855652. Both sources encode the structure as SMILES CCOC(=O)C1=CN=NC=C1, with InChIKey FVBGGKYTKXFLOV-UHFFFAOYSA-N. This set identifies the ethyl ester of pyridazine-4-carboxylic acid and does not rely on an abbreviated ester name alone.
A pyridazine ring has two neighboring ring nitrogens. Here, the carbonyl carbon of the carboxylate substituent is attached at ring position 4, and its second oxygen connects to a two-carbon ethyl group. The opening CCO portion of the SMILES records that ethoxy sequence before the carbonyl. Formula C7H8N2O2 therefore contains five ring-related carbons plus the two ethyl carbons, two nitrogen atoms, and the two ester oxygens. No counterion or stereochemical layer is present.
When comparing a structure with this catalog entry, provide the full Ethyl Pyridazine-4-carboxylate name and CAS 39123-39-2. CID 10855652 and InChI InChI=1S/C7H8N2O2/c1-2-11-7(10)6-3-4-8-9-5-6/h3-5H,2H2,1H3 offer independent machine-readable checks on the ester attachment. Changing the ring locant or replacing ethyl with another alkyl group would define a separate compound. The documented graph also keeps both ring nitrogens adjacent. Rlavie can compare a submitted structure file with these exact fields and keep the response tied to the verified molecular entity.