Ethyl 4-oxo-1,4-dihydroquinoline-2-carboxylate
Basic information
- CAS
24782-43-2- Standard SMILES
CCOC(=O)c1cc(=O)c2ccccc2[nH]1- InChIKey
UACLREXZGKWWIC-UHFFFAOYSA-N- Molecular formula
- C12H11NO3
- Average molar mass
- 217.22 g/mol
- Monoisotopic mass
- 217.07389321
Overview
See also: Ethyl_4-hydroxy-2-quinolinecarboxylate (annotation moved to).
Names & identifiers
- Preferred name
- Ethyl 4-oxo-1,4-dihydroquinoline-2-carboxylate
- IUPAC
- ethyl 4-oxo-1H-quinoline-2-carboxylate
- English name
- Ethyl 4-hydroxy-2-quinolinecarboxylate
- Molecular formula
- C12H11NO3
- Molecular weight
- 217.22
Names & synonyms
Ethyl 4-oxo-1,4-dihydroquinoline-2-carboxylateDTXSID90947692RefChem:1084957DTXCID001375949ethyl 4-hydroxyquinoline-2-carboxylate24782-43-213720-90-6Ethyl 4-hydroxy-2-quinolinecarboxylateethyl 4-oxo-1H-quinoline-2-carboxylate2-Quinolinecarboxylic acid, 4-hydroxy-, ethyl esterMFCD018637322-Quinolinecarboxylic acid, 1,4-dihydro-4-oxo-, ethyl ester
Show more names
Ethyl-4-hydroxy-2-quinolincarboxylateEthyl 4-hydroxy-2-quinolinecarboxylate 96%Ethyl 4-hydroxy-2-quinolinecarboxylate 95+%4-oxo-1H-quinoline-2-carboxylic acid ethyl ester4-Hydroxy-2-quinolinecarboxylic acid ethyl ester4-keto-1H-quinoline-2-carboxylic acid ethyl ester
Ethyl4-oxo-1,4-dihydroquinoline-2-carboxylateMFCD11998911NSC1369174-Hydroxy-quinoline-2-carboxylic acid ethyl estercarbethoxy-4-hydroxyquinolineSCHEMBL1733527SCHEMBL5565082SCHEMBL30002312
Database identifiers
- CAS
24782-43-2- PubChem CID
- 282844
- DTXSID
DTXSID90947692
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 335
Physicochemical properties
- Melting point
- 216 · 216-218 °C(lit.)
- Boiling point
- 418.3 · 418.3±25.0 °C(Predicted)
- Density
- 1.28 · 1.280±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.53 · 3.53±0.40(Predicted)
- InChI
- 1S/C12H11NO3/c1-2-16-12(15)10-7-11(14)8-5-3-4-6-9(8)13-10/h3-7H,2H2,1H3,(H,13,14)
- InChIKey
- UACLREXZGKWWIC-UHFFFAOYSA-N
- SMILES
- CCOC(=O)c1cc(O)c2ccccc2n1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2933491090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Related reactions
2 records
Compound notes
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