Ethyl pyridazine-3-carboxylate
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Basic information
- CAS
1126-10-9- Standard SMILES
CCOC(=O)c1cccnn1- InChIKey
LLLVOBWNRQYTKR-UHFFFAOYSA-N- Molecular formula
- C7H8N2O2
- Average molar mass
- 152.15 g/mol
- Monoisotopic mass
- 152.0585775
Names & identifiers
- Preferred name
- Ethyl pyridazine-3-carboxylate
- IUPAC
- ethyl pyridazine-3-carboxylate
- English name
- Pyridazine-3-carboxylic acid ethyl ester
- Molecular formula
- C7H8N2O2
- Molecular weight
- 152.15
Names & synonyms
ethyl pyridazine-3-carboxylate1126-10-9DTXSID50560467RefChem:344997DTXCID80511245PYRIDAZINE-3-CARBOXYLIC ACID ETHYL ESTER3-Pyridazinecarboxylicacid, ethyl esterMFCD09908167ethyl 3-pyridazinecarboxylateethyl-3-pyridazinecarboxylateethylpyridazine-3-carboxylateSCHEMBL2930179
Show more names
azine-3-ethyl formate3-Pyridazinecarboxylicacid,ethylester(7CI,8CI,9CI)
SCHEMBL27229504SCHEMBL29427469LLLVOBWNRQYTKR-UHFFFAOYSA-NAKOS0063130463-Pyridazinecarboxylic acid, ethyl esterpyridazine-6-carboxylic acid ethyl esterBS-49410SY504626
Database identifiers
- CAS
1126-10-9- PubChem CID
- 14452007
- DTXSID
DTXSID50560467
Properties
Computed structural propertiesFilling in
- XLogP
- -0.1
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H314
- Precautionary statements
- 501 · P501-P260-P270-P264-P280-P303+P361+P353-P301+P330+P331-P363-P301+P310+P330-P304+P340+P310-P305+P351+P338+P310-P405
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- Hazard statements
- H301-H314
- Precautionary statements
- P501-P260-P270-P264-P280-P303+P361+P353-P301+P330+P331-P363-P301+P310+P330-P304+P340+P310-P305+P351+P338+P310-P405
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
3 records
Compound notes
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