6-Bromo-4-hydroxyquinolin-2(1H)-one

HCID 54689446

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Grundinformationen

CAS: 54675-23-9
Standard-SMILES: O=c1cc(O)c2cc(Br)ccc2[nH]1
InChIKey: DQFPMEMMMGZBKU-UHFFFAOYSA-N
Summenformel: C9H6BrNO2
Durchschnittliche Molmasse: 240,05 g/mol
Monoisotopische Masse: 238,95819

Namen und Bezeichner

Bevorzugter Name: 6-Bromo-4-hydroxyquinolin-2(1H)-one
IUPAC: 6-bromo-4-hydroxy-1H-quinolin-2-one
Englischer Name: 6-broMo-4-hydroxyquinolin-2(1H)-one
Summenformel: C9H6BrNO2
Molmasse: 240.05

Namen und Synonyme

6-BROMO-4-HYDROXYQUINOLIN-2(1H)-ONE54675-23-96-Bromo-4-hydroxy-1H-quinolin-2-oneDTXSID30715837RefChem:104308DTXCID406665836-Bromo-2-hydroxyquinolin-4(1H)-one2254506-51-72(1H)-Quinolinone, 6-bromo-4-hydroxy-6-bromoquinoline-2,4-diolMFCD118475886-bromo-4-hydroxy-1,2-dihydroquinolin-2-one

Weitere Namen anzeigen

6-Bromo-4-Hydroxyquinolone6-Bromo-4-hydroxycarbostyril5-HYDROXYETHANESULPHONICACID6-Bromo-4-hydroxyquinolin-2(1H)6-broMo-4-hydroxy-291H)-quinolinone

6-bromo-2-hydroxy-1H-quinolin-4-one6-bromo-4-hydroxy-2(1H)-quinolinoneMFCD294723814-Hydroxy-6-brom-carbostyrilorb3022910SCHEMBL6089328SCHEMBL21979963TPL0084

Datenbank-Bezeichner

CAS: 54675-23-9
PubChem CID: 54689446
DTXSID: DTXSID30715837
EC Number: 889-490-2
Nikkaji: J1.571.105A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 49,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 13
Formalladung: 0
Komplexität: 264

Physikochemische Eigenschaften

Schmelzpunkt: 211 · 211-212 °C
Siedepunkt: 451.3 · 451.3±45.0 °C(Predicted)
Dichte: 1.801 · 1.801±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 4.5 · 4.50±1.00(Predicted)
InChI: InChI=1S/C9H6BrNO2/c10-5-1-2-7-6(3-5)8(12)4-9(13)11-7/h1-4H,(H2,11,12,13)
InChIKey: DQFPMEMMMGZBKU-UHFFFAOYSA-N
SMILES: N1C2=C(C=C(Br)C=C2)C(O)=CC1=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

hs_code: 2933499090

Chemie und Industrie

Anwendungen

Verwenden6-broMo-4-hydroxyquinolin-2(1H)-one can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development processes and chemical production processes.