Basic information
- CAS
40059-53-8- Standard SMILES
CCOC(=O)c1c(O)c2ccccc2[nH]c1=O- InChIKey
LGLPFJDOUVCBNP-UHFFFAOYSA-N- Molecular formula
- C12H11NO4
- Average molar mass
- 233.22 g/mol
- Monoisotopic mass
- 233.06880783
Names & identifiers
- Preferred name
- Ethyl 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylate
- IUPAC
- ethyl 4-hydroxy-2-oxo-1H-quinoline-3-carboxylate
- English name
- 1,2-DIHYDRO-4-HYDROXY-2-OXO-3-QUINOLINECARBOXYLIC ACID ETHYL ESTER
- Molecular formula
- C12H11NO4
- Molecular weight
- 233.22
Names & synonyms
ethyl 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylateRefChem:595433866-520-240059-53-81,2-Dihydro-4-hydroxy-2-oxo-3-quinolinecarboxylic acid ethyl esterMFCD002183453-Quinolinecarboxylic acid, 1,2-dihydro-4-hydroxy-2-oxo-, ethyl esterETHYL 4-HYDROXY-2-OXO-1H-QUINOLINE-3-CARBOXYLATECHEMBL3268533-Carbethoxy-4-hydroxy-2-quinoloneethyl 2,4-dihydroxyquinoline-3-carboxylateEthyl 1,2-dihydro-4-hydroxy-2-oxo-3-quinolinecarboxylate
Show more names
AURORA KA-44643-Ethoxycarbonyl-2,4-dihydroxyquinolineEthyl 4-hydroxy-2-oxo-1,2-dihydro-3-quinolinecarboxylate(3Z)-3-[ETHOXY(HYDROXY)METHYLIDENE]-1H-QUINOLINE-2,4-DIONE1,2-dihydro-4-hydroxy-2-oxo-3-quinolinecarboxylicaciethylester1,2-Dihydro-4-hydroxy-2-oxo-3-quinolinecarboxylic acid ethyl...
4-Hydroxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid ethyl esterOprea1_531233Oprea1_795352SCHEMBL1058188Ethyl4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylateSCHEMBL27659536SCHEMBL29860485DTXSID80193121
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 375
Physicochemical properties
- Melting point
- 208 °C · 208 °C
- Boiling point
- 458 · 458.0±45.0 °C(Predicted)
- Density
- 1.378 · 1.378±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.5 · 4.50±1.00(Predicted)
- Appearance
- Off-white to light yellow Solid
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
30 records
Compound notes
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