Ethyl 4-oxo-1,4-dihydrocinnoline-3-carboxylate
Grundinformationen
- CAS
219568-43-1- Standard-SMILES
CCOC(=O)c1n[nH]c2ccccc2c1=O- InChIKey
GKZADQFFKFUDKN-UHFFFAOYSA-N- Summenformel
- C11H10N2O3
- Durchschnittliche Molmasse
- 218,21 g/mol
- Monoisotopische Masse
- 218,06914219
Namen und Bezeichner
- Bevorzugter Name
- Ethyl 4-oxo-1,4-dihydrocinnoline-3-carboxylate
- IUPAC
- ethyl 4-oxo-1H-cinnoline-3-carboxylate
Namen und Synonyme
ethyl 4-oxo-1,4-dihydrocinnoline-3-carboxylate219568-43-1RefChem:595484824-516-8Ethyl 4-hydroxycinnoline-3-carboxylate37967-71-8ethyl 4-oxo-1H-cinnoline-3-carboxylateSCHEMBL3716680SCHEMBL10861354GKZADQFFKFUDKN-UHFFFAOYSA-NUIA56843AKOS013101591
Weitere Namen anzeigen
AKOS040713363CS-0259848EN300-74283ethyl4-oxo-1,4-dihydrocinnoline-3-carboxylateG20959Z11670445094-oxo-1,4-dihydrocinnoline-3-carboxylic acid ethyl ester
Datenbank-Bezeichner
- CAS
219568-43-1- PubChem CID
- 23320177
- EC Number
- 824-516-8
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,9
- Polarare Oberfläche (TPSA)
- 67,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 338
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
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, 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Zugehörige Reaktionen
4
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