Ethyl 4-hydroxy-6-nitroquinoline-3-carboxylate
Basic information
- CAS
103514-53-0- Standard SMILES
CCOC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc2c1=O- InChIKey
DBJCDCSZGDONQQ-UHFFFAOYSA-N- Molecular formula
- C12H10N2O5
- Average molar mass
- 262.22 g/mol
- Monoisotopic mass
- 262.05897142
Names & identifiers
- Preferred name
- Ethyl 4-hydroxy-6-nitroquinoline-3-carboxylate
- IUPAC
- ethyl 6-nitro-4-oxo-1H-quinoline-3-carboxylate
- English name
- 4-Hydroxy-6-nitro-quinoline-3-carboxylic acid ethyl ester
- Molecular formula
- C12H10N2O5
- Molecular weight
- 262.22
Names & synonyms
103514-53-0ethyl 4-hydroxy-6-nitroquinoline-3-carboxylateEthyl 6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate175087-43-1ethyl 6-nitro-4-oxo-1H-quinoline-3-carboxylate3-quinolinecarboxylic acid, 4-hydroxy-6-nitro-, ethyl ester6-Nitro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester4-Hydroxy-6-nitro-quinoline-3-carboxylic acid ethyl esterEthyl 4-hydroxy-6-nitro-3-quinolinecarboxylateETHYL 6-NITRO-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXYLATENSC403049CBMicro_048035
Show more names
Oprea1_487922SCHEMBL538711SCHEMBL23924205SCHEMBL30125610DTXSID403231093-Quinolinecarboxylic acid, 1,4-dihydro-6-nitro-4-oxo-, ethyl esterMFCD00498987MFCD00968675
Database identifiers
- CAS
103514-53-0- PubChem CID
- 345423
- DTXSID
DTXSID40323109- Nikkaji
- J3.478.574K
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 440
Physicochemical properties
- Boiling point
- 416.2 · 416.2±40.0 °C(Predicted)
- Density
- 1.445 · 1.445±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- form
- solid
- pka
- 1.18 · 1.18±0.50(Predicted)
- Appearance
- Light yellow to brown Solid
- SMILES
- O=C1C(C=C2[N+]([O-])=O)=C(C=C2)NC=C1C(OCC)=O
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- WGK Germany
- 3 · WGK 3
- HS Code
- 2933499090 · 2933499090
- Storage Class
- 11 · 11 - Combustible Solids
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
- wgk
- WGK 3
- hs_code
- 2933499090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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