7-Hydroxy-3,4-dihydrocarbostyril (HCID 2785758)

Namen und Bezeichner

Bevorzugter Name: 7-Hydroxy-3,4-dihydrocarbostyril
IUPAC: 7-hydroxy-3,4-dihydro-1H-quinolin-2-one
Englischer Name: 3,4-Dihydro-7-hydroxy-2(1H)-quinolinone
Summenformel: C9H9NO2
Molmasse: 163.17

Namen und Synonyme

22246-18-03,4-Dihydro-7-hydroxy-2(1H)-quinolinone7-hydroxy-3,4-dihydroquinolin-2(1H)-one7-Hydroxy-3,4-dihydro-2(1H)-quinolinone7-Hydroxy-3,4-dihydrocarbostyril3,4-dihydroquinoline-2,7-diolVFU6XCR3Q32(1H)-QUINOLINONE, 3,4-DIHYDRO-7-HYDROXY-DTXSID703829413,4-Dihydro-7-hydroxy-2(1H)-quinolineARIPIPRAZOLE IMPURITY A [EP IMPURITY]ARIPIPRAZOLE IMPURITY A (EP IMPURITY)

Weitere Namen anzeigen

7-Hydroxy-3AURORA KA-4813Aripiprazole Imp.A3,4-Dihydro-7-hydrox7-Hydroxy carbostyril

RefChem:546546DTXCID40333965606-966-57-hydroxy-3,4-dihydro-1H-quinolin-2-one3,4-Dihydro-7-hydroxycarbostyrilAripiprazole EP Impurity A3,4-Dihydro-7-hydroxyquinoline-2(1H)-oneMFCD06410891

Datenbank-Bezeichner

CAS: 22246-18-0
PubChem CID: 2785758
DTXSID: DTXSID70382941
ChEMBL: CHEMBL2430711
ChEBI: CHEBI:228791
UNII: VFU6XCR3Q3
EC Number: 606-966-5
Nikkaji: J28.258H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 49,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 193

Physikochemische Eigenschaften

Schmelzpunkt: 233 · 233-237 °C
Siedepunkt: 403.7 · 403.7±45.0 °C(Predicted)
Dichte: 1.282 · 1.282±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 9.6 · 9.60±0.20(Predicted)
Farbe: Pale Yellow
InChI: InChI=1S/C9H9NO2/c11-7-3-1-6-2-4-9(12)10-8(6)5-7/h1,3,5,11H,2,4H2,(H,10,12)
InChIKey: LKLSFDWYIBUGNT-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC(O)=C2)CCC1=O
CAS Datenbank: 22246 · 22246-18-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 2% (1 of 51) of reports.

Warning

H302 (84.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (11.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (82.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (13.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (11.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 7 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 51 reports by companies.；There are 6 notifications provided by 50 of 51 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

Hazard Classes and CategoriesAcute Tox. 4 (84.3%)；Skin Irrit. 2 (11.8%)；Skin Sens. 1 (82.4%)；Eye Irrit. 2 (13.7%)；STOT SE 3 (11.8%)

Sicherheitsdaten

wgk: 3
hs_code: 29334900
risk_code: 22-43
hazard_code: Xn,Xi
safety_code: 36/37
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralSkin Sens. 1

Chemie und Industrie

Anwendungen

Verwenden3,4-Dihydro-7-hydroxyquinoline-2(1H)-one (Aripiprazole EP Impurity A) is an antitumor agent. Hydroxyindole analog inhibitor tyrosinase melanoma. This compound is also used in the preparation of aripiprazole (A771000).