Ethyl 7-chloro-4-hydroxy-6-methoxyquinoline-3-carboxylate
Basic information
- CAS
374679-64-8- Standard SMILES
CCOC(=O)c1c[nH]c2cc(Cl)c(OC)cc2c1=O- InChIKey
LLIWHVZCTREOQE-UHFFFAOYSA-N- Molecular formula
- C13H12ClNO4
- Average molar mass
- 281.69 g/mol
- Monoisotopic mass
- 281.0454856
Names & identifiers
- Preferred name
- Ethyl 7-chloro-4-hydroxy-6-methoxyquinoline-3-carboxylate
- IUPAC
- ethyl 7-chloro-6-methoxy-4-oxo-1H-quinoline-3-carboxylate
- English name
- 7-Chloro-4-hydroxy-6-methoxy-quinoline-3-carboxylic acid ethyl ester
- Molecular formula
- C13H12ClNO4
- Molecular weight
- 281.69
Names & synonyms
Ethyl 7-chloro-4-hydroxy-6-methoxyquinoline-3-carboxylate374679-64-8ethyl 7-chloro-6-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate1373767-56-6Ethyl 7-chloro-6-methoxy-4-oxo-1H-quinoline-3-carboxylateSCHEMBL2725474LLIWHVZCTREOQE-UHFFFAOYSA-NAKOS005260781AKOS040727580SB70729Ethyl7-chloro-4-hydroxy-6-methoxyquinoline-3-carboxylateF6782-3872
Show more names
7-Chloro-4-hydroxy-6-methoxy-quinoline-3-carboxylic acid ethyl ester3-Quinolinecarboxylic acid, 7-chloro-4-hydroxy-6-methoxy-, ethyl ester
ethyl 7-chloro-4-hydroxy-6-methoxy-3-quinolinecarboxylateethyl 7-chloro-4-hydroxy-6-(methyloxy)-3-quinolinecarboxylate
Database identifiers
- CAS
374679-64-8- PubChem CID
- 4335897
- EC Number
- 119-586-5
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 409
Physicochemical properties
- Melting point
- 299 °C · 299 °C (decomp)
- Boiling point
- 401 · 401.0±40.0 °C(Predicted)
- Density
- 1.37 · 1.370±0.06 g/cm3(Predicted)
- pka
- 2.28 · 2.28±0.50(Predicted)
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (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 CategoriesEye Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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