8-Bromo-1,2-dihydroquinolin-2-one

HCID 10933094CAS 67805-67-8

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Grundinformationen

Standard-SMILES: O=c1ccc2cccc(Br)c2[nH]1
InChIKey: HGJBIJWBYATVQY-UHFFFAOYSA-N
Summenformel: C9H6BrNO
Durchschnittliche Molmasse: 224,05 g/mol
Monoisotopische Masse: 222,96327591

Namen und Bezeichner

Bevorzugter Name: 8-Bromo-1,2-dihydroquinolin-2-one
IUPAC: 8-bromo-1H-quinolin-2-one
Englischer Name: 8-Bromoquinolin-2(1H)-one
Summenformel: C9H6BrNO
Molmasse: 224.05

Namen und Synonyme

8-BROMO-1,2-DIHYDROQUINOLIN-2-ONERefChem:547675696-495-18-Bromoquinolin-2(1H)-one67805-67-88-bromo-1H-quinolin-2-one8-BROMO-2-HYDROXYQUINOLINE8-bromoquinolin-2-olMFCD087414098-bromoquinolin-2-one2(1H)-Quinolinone, 8-bromo-8-BROMO-2(1H)-QUINOLINONE

Weitere Namen anzeigen

8-BroMoquinoline-2(1h)-one8-Bromoquinolin-2(1H)-one98%8-Bromoquinolin-2(1H)-one 98%8-Bromo-1,2-dihydro-2-oxoquinoline

CHEMBL42167948-Bromocarbostyril8-Bromo8-Bromo-2-quinolone8-Bromo-2-hydroxyquinoline;8-bromo-1h-quinoline-2-oneSCHEMBL731556SCHEMBL5763166

Datenbank-Bezeichner

CAS: 67805-67-8
PubChem CID: 10933094
DTXSID: DTXSID30448855
ChEMBL: CHEMBL4216794
EC Number: 696-495-1
Nikkaji: J2.239.259J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 29,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 227

Physikochemische Eigenschaften

Schmelzpunkt: 196 · 196-198 °C
Siedepunkt: 390.2 · 390.2±42.0 °C(Predicted)
Dichte: 1.62 · 1.620±0.06 g/cm3(Predicted)
storage temp.: Room temperature.
pka: 10.7 · 10.70±0.70(Predicted)
Aggregatzustand: Peachy beige fine crystalline needles
InChI: InChI=1S/C9H6BrNO/c10-7-3-1-2-6-4-5-8(12)11-9(6)7/h1-5H,(H,11,12)
InChIKey: HGJBIJWBYATVQY-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC=C2Br)C=CC1=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk: WGK 3
hs_code: 2933499090
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen

Verwenden8-Bromoquinolin-2(1H)-one is an organic compound that inhibits the production of inflammatory substances in the body. It is a long-chain alkene and a synthetic substance that is used to prepare pharmaceuticals.