Ethyl 6-fluoro-4-hydroxyquinoline-3-carboxylate

HCID 710779

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 318-35-4
Standard SMILES: CCOC(=O)c1c[nH]c2ccc(F)cc2c1=O
InChIKey: LNPRCADPRULVTR-UHFFFAOYSA-N
Molecular formula: C12H10FNO3
Average molar mass: 235.21 g/mol
Monoisotopic mass: 235.0644714

Names & identifiers

Preferred name: Ethyl 6-fluoro-4-hydroxyquinoline-3-carboxylate
IUPAC: ethyl 6-fluoro-4-oxo-1H-quinoline-3-carboxylate
English name: ETHYL 6-FLUORO-4-HYDROXY-3-QUINOLINECARBOXYLATE
Molecular formula: C12H10FNO3
Molecular weight: 235.21

Names & synonyms

ethyl 6-fluoro-4-hydroxyquinoline-3-carboxylate318-35-4DTXSID80351825RefChem:1084992DTXCID20302891ethyl 6-fluoro-4-oxo-1H-quinoline-3-carboxylate71083-00-6ethyl 6-fluoro-4-hydroxy-3-quinolinecarboxylateethyl 6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylateMFCD001733453-quinolinecarboxylic acid, 6-fluoro-4-hydroxy-, ethyl esterethyl 6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate

Show more names

AURORA 17947BUTTPARK 18\09-692-ethyl-6-fluoro-4-oxo-1H-quinoline-3-carboxylate6-Fluoro-4-hydroxy-3-quinolinecarboxylicacidethylester6-FLUORO-4-HYDROXYQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester

6-FLUORO-4-OXO-1,4-DIHYDRO-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER3-Quinolinecarboxylic acid, 6-fluoro-1,4-dihydro-4-oxo-, ethyl esterethyl 6-fluoro-4-oxohydroquinoline-3-carboxylateOprea1_584923Oprea1_606154SCHEMBL538115SCHEMBL846416F0850-4895

Database identifiers

CAS: 318-35-4、71083-00-6
PubChem CID: 710779
DTXSID: DTXSID80351825
EC Number: 681-664-4
Nikkaji: J1.363.396G、J2.184.420I

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 55.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 367

Physicochemical properties

Melting point: 320 · 320-323°C
Boiling point: 338.5 · 338.5±37.0 °C(Predicted)
Density: 1.353 · 1.353±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 2.4 · 2.40±0.50(Predicted)
Appearance: White to off-white Solid
CAS DataBase Reference: 318 · 318-35-4(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
HazardClass: IRRITANT
HS Code: 2933499090 · 2933499090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.