Ethyl 6,8-difluoro-4-hydroxyquinoline-3-carboxylate
Basic information
- CAS
107555-38-4- Standard SMILES
CCOC(=O)c1c[nH]c2c(F)cc(F)cc2c1=O- InChIKey
NUHKASXLPYOGHW-UHFFFAOYSA-N- Molecular formula
- C12H9F2NO3
- Average molar mass
- 253.2 g/mol
- Monoisotopic mass
- 253.05504947
Names & identifiers
- Preferred name
- Ethyl 6,8-difluoro-4-hydroxyquinoline-3-carboxylate
- IUPAC
- ethyl 6,8-difluoro-4-oxo-1H-quinoline-3-carboxylate
- English name
- Ethyl 6,8-difluoro-4-hydroxyquinoline-3-carboxylate
- Molecular formula
- C12H9F2NO3
- Molecular weight
- 253.2
Names & synonyms
ethyl 6,8-difluoro-4-hydroxyquinoline-3-carboxylate107555-38-4DTXSID10383972RefChem:344466DTXCID80334996ethyl 6,8-difluoro-4-oxo-1H-quinoline-3-carboxylateMFCD00173349Maybridge3_000305Bionet2_000041Oprea1_128487F3173-0020Ethyl 6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
Show more names
3-Quinolinecarboxylic acid, 6,8-difluoro-4-hydroxy-, ethyl esterEthyl 6,8-difluoro-4-hydroxyquinoline-3-carboxylate ISO 9001：2015 REACH6,8-Difluoro-4-hydroxy-quinoline-3-carboxylic acid ethyl ester Ethyl 6,8-difluoro-4-hydroxyquinoline-3-carboxylate
6,8-Difluoro-4-hydroxyquinoline-3-carboxylic acid ethyl esterethyl 6,8-difluoro-4-hydroxy-3-quinolinecarboxylateSCHEMBL6200613SCHEMBL6693441CHEMBL4535294ETHYL6,8-DIFLUORO-4-HYDROXYQUINOLINE-3-CARBOXYLATEHMS1364B19HMS1431N19
Database identifiers
- CAS
107555-38-4- PubChem CID
- 2798043
- DTXSID
DTXSID10383972- ChEMBL
CHEMBL4535294
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 397
Physicochemical properties
- Melting point
- 275 · 275-277 °C(Solv: ethanol (64-17-5))
- Boiling point
- 335.9 · 335.9±37.0 °C(Predicted)
- Density
- 1.422 · 1.422±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 5.62 · 5.62±0.44(Predicted)
- Appearance
- White to off-white Solid
- HS Code
- 2933499090 · 2933499090
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
- hs_code
- 2933499090
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Related reactions
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Compound notes
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