7-Hydroxycarbostyril
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Grundinformationen
- CAS
70500-72-0- Standard-SMILES
O=c1ccc2ccc(O)cc2[nH]1- InChIKey
DBSPUDKBNOZFMX-UHFFFAOYSA-N- Summenformel
- C9H7NO2
- Durchschnittliche Molmasse
- 161,16 g/mol
- Monoisotopische Masse
- 161,04767847
Namen und Bezeichner
- Bevorzugter Name
- 7-Hydroxycarbostyril
- IUPAC
- 7-hydroxy-1H-quinolin-2-one
- Englischer Name
- 7-Hydroxyquinolinone
- Summenformel
- C9H7NO2
- Molmasse
- 161.16
Namen und Synonyme
70500-72-02,7-Dihydroxyquinoline7-hydroxyquinolin-2(1H)-one7-hydroxy-1H-quinolin-2-one7-Hydroxycarbostyril7-Hydroxy-2(1H)-quinolinone7-Hydroxyquinoline-(1H)-2-one7-hydroxy-2-quinolone3B25C3NP9LCHEBI:48987DTXSID30450372RefChem:546581
Weitere Namen anzeigen
7-HYDROXYQUINOLINE-2(1H)-ONE7-Hydroxy-7-hydroxy-2(1H)-Quino7- hydroxy-2-quinolone
DTXCID80401192812-453-97-Hydroxyquinolinonequinoline-2,7-diol7-HYDROXY-1,2-DIHYDROQUINOLIN-2-ONE2(1H)-Quinolinone, 7-hydroxy-7-Hydroxy-2-quinolinoneMFCD04117979
Datenbank-Bezeichner
- CAS
70500-72-0- PubChem CID
- 10975787
- DTXSID
DTXSID30450372- ChEBI
CHEBI:48987- UNII
- 3B25C3NP9L
- EC Number
- 812-453-9
- Nikkaji
- J28.257J
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 0,9
- Polarare Oberfläche (TPSA)
- 49,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 225
Physikochemische Eigenschaften
- Schmelzpunkt
- 187 · 187-192°C
- Siedepunkt
- 426.8 · 426.8±45.0 °C(Predicted)
- Dichte
- 1.337 · 1.337±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly, Sonicated)
- Aggregatzustand
- Solid
- pka
- 9.32 · 9.32±0.20(Predicted)
- Farbe
- Off-White to Pale Yellow
- Wasserlöslichkeit
- Water: Insoluble
- Major Application
- pharmaceutical
- InChI
- InChI=1S/C9H7NO2/c11-7-3-1-6-2-4-9(12)10-8(6)5-7/h1-5,11H,(H,10,12)
- InChIKey
- DBSPUDKBNOZFMX-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=CC(O)=C2)C=CC1=O
- CAS Datenbank
- 70500 · 70500-72-0(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
This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.
Warning
H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): 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)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 3 reports by companies.；There are 2 notifications provided by 2 of 3 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 24-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25630
Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)；Eye Irrit. 2A (66.7%)；STOT SE 3 (66.7%)
Regulatorische Informationen
Regulatory InformationStatus: Active Update: 24-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25630
Chemie und Industrie
Anwendungen
Verwenden7-Hydroxyquinolone is a substituted carbostyril derivative used as a pharmaceutical intermediate. It is an impurity of aripiprazole quinolinone.
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