4-HYDROXY-6-METHOXYQUINOLINE-3-CARBOXYLIC ACID
Grundinformationen
- CAS
28027-16-9- Standard-SMILES
COc1ccc2[nH]cc(C(=O)O)c(=O)c2c1- InChIKey
YUXLPEGMXYHPCZ-UHFFFAOYSA-N- Summenformel
- C11H9NO4
- Durchschnittliche Molmasse
- 219,196 g/mol
- Monoisotopische Masse
- 219,05315777
Namen und Bezeichner
- Bevorzugter Name
- 4-HYDROXY-6-METHOXYQUINOLINE-3-CARBOXYLIC ACID
- IUPAC
- 6-Methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
- Englischer Name
- 4-Hydroxy-6-methoxyquinoline-3-carboxylic acid
- Summenformel
- C11H9NO4
- Molmasse
- 219.19
Namen und Synonyme
Nsc80675AKOS BB-8879BUTTPARK 20\09-623-CARBOXY-4-HYDROXY-6-METHOXYQUINOLINE6-methoxy-4-oxo-1H-quinoline-3-carboxylic acid4-Hydroxy-6-methoxyquinoline-3-carboxylic acid4-hydroxy-6-methoxy-3-quinoline carboxylic acid3-Quinolinecarboxylic acid, 4-hydroxy-6-methoxy-
Datenbank-Bezeichner
- CAS
28027-16-9- PubChem CID
- 255289
- DTXSID
DTXSID80292183- ChEMBL
CHEMBL386037- EC Number
- 862-890-4
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,8
- Polarare Oberfläche (TPSA)
- 75,6 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 350
Physikochemische Eigenschaften
- Schmelzpunkt
- 278 · 278-279 °C (decomp)
- Siedepunkt
- 418.6 · 418.6±45.0 °C(Predicted)
- Dichte
- 1.444 · 1.444±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- Aggregatzustand
- solid
- pka
- 0.74 · 0.74±0.30(Predicted)
- InChI
- 1S/C11H9NO4/c1-16-6-2-3-9-7(4-6)10(13)8(5-12-9)11(14)15/h2-5H,1H3,(H,12,13)(H,14,15)
- InChIKey
- YUXLPEGMXYHPCZ-UHFFFAOYSA-N
- SMILES
- O=C(O)C1=C(O)C2=C(C=CC(OC)=C2)N=C1
- CAS Datenbank
- 28027 · 28027-16-9(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 2933499090
- Speicherklasse
- 11 - Combustible Solids
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