Methyl 7-chloro-4-hydroxyquinoline-2-carboxylate
Basic information
- CAS
5347-19-3- Standard SMILES
COC(=O)c1cc(=O)c2ccc(Cl)cc2[nH]1- InChIKey
QHPKUXTUEVUQAZ-UHFFFAOYSA-N- Molecular formula
- C11H8ClNO3
- Average molar mass
- 237.64 g/mol
- Monoisotopic mass
- 237.0192708
Names & identifiers
- Preferred name
- Methyl 7-chloro-4-hydroxyquinoline-2-carboxylate
- IUPAC
- methyl 7-chloro-4-oxo-1H-quinoline-2-carboxylate
- English name
- METHYL 7-CHLORO-4-HYDROXYQUINOLINE-2-CARBOXYLATE
- Molecular formula
- C11H8ClNO3
- Molecular weight
- 237.64
Names & synonyms
Methyl 7-chloro-4-hydroxyquinoline-2-carboxylate5347-19-3methyl 7-chloro-4-oxo-1H-quinoline-2-carboxylatemethyl 7-chloro-4-oxo-1,4-dihydroquinoline-2-carboxylate20843-45-2NSC3756MFCD07783792methyl 7-chloro-4-hydroxy-2-quinolinecarboxylateSCHEMBL2904899SCHEMBL63361977-chloro-4-hydroxy-2-quinolinecarboxylic acid methyl esterDTXSID60277736
Show more names
2-Quinolinecarboxylic acid, 7-chloro-4-hydroxy-, methyl ester
QHPKUXTUEVUQAZ-UHFFFAOYSA-NNSC-3756AKOS015961842AKOS040727658SB69285AC-15110AS-41917F239174
Database identifiers
- CAS
5347-19-3- PubChem CID
- 220692
- DTXSID
DTXSID60277736
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- Boiling point
- 442.8 · 442.8±40.0 °C(Predicted)
- Density
- 1.439 · 1.439±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 6.52 · 6.52±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…