Chinoxalin-2(1H)-on

2(1H)-Quinoxalinone

HCID 14526CAS 1196-57-2

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Grundinformationen

Standard-SMILES: O=c1cnc2ccccc2[nH]1
InChIKey: FFRYUAVNPBUEIC-UHFFFAOYSA-N
Summenformel: C8H6N2O
Durchschnittliche Molmasse: 146,15 g/mol
Monoisotopische Masse: 146,04801281

Überblick

Quinoxalin-2-ol is a hydroxyquinoxaline that consists of quinoxaline having a single hydroxy substituent located at position 2. It has a role as a metabolite. It derives from a hydride of a quinoxaline.

Namen und Bezeichner

Bevorzugter Name: 2(1H)-Quinoxalinone
IUPAC: 1H-quinoxalin-2-one
Lokaler Name: Chinoxalin-2(1H)-on
Englischer Name: 2-Quinoxalinone
Summenformel: C8H6N2O
Molmasse: 146.15

Namen und Synonyme

2-Hydroxyquinoxaline1196-57-22(1H)-QuinoxalinoneQuinoxalin-2-oneDTXSID6061604RefChem:473523DTXCID8033512214-815-6quinoxalin-2-ol2-QUINOXALINOL2-QuinoxalinoneQuinoxalin-2(1H)-one

Weitere Namen anzeigen

Quinoxalinol2-Quinazolone2-QUINOXACINOL

144499-26-31H-quinoxalin-2-one1,2-Dihydroquinoxalin-2-one3-Quinoxalinone2-Quinoxalonequinoxalinone2-Quinoxalinol(9CI)MFCD00006722

Datenbank-Bezeichner

CAS: 1196-57-2
PubChem CID: 14526
DTXSID: DTXSID6061604
ChEBI: CHEBI:38890
EC Number: 214-815-6
Nikkaji: J54.923A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 41,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 200

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

LogP0.8

Physikochemische Eigenschaften

Schmelzpunkt: 271 · 271-272 °C (lit.)
Siedepunkt: 265.75 °C · 265.75°C (rough estimate)
Dichte: 1.2312 · 1.2312 (rough estimate)
Brechungsindex: 1.49 · 1.4900 (estimate)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Very Slightly, Heated)
Aggregatzustand: Solid
pka: 9.2 · 9.20±0.50(Predicted)
Farbe: Light Brown
InChI: InChI=1S/C8H6N2O/c11-8-5-9-6-3-1-2-4-7(6)10-8/h1-5H,(H,10,11)
InChIKey: FFRYUAVNPBUEIC-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC=C2)N=CC1=O
CAS Datenbank: 1196 · 1196-57-2(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2(1H)-quinoxalinone(1196-57-2)
EPA chemische Informationen: 2 · 2(1H)-Quinoxalinone (1196-57-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationChemical: 2(1H)-Quinoxalinone

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29339900
RTECS-Nr.: VD3630000
risk_code: 36/37/38
Toxizität: mouse,LD50,intravenous,178mg/kg (178mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00285,
hazard_code: Xi
safety_code: 26-36/39-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information2(1H)-Quinoxalinone: ACTIVE

Anwendungen

Verwenden2-Quinoxalinone is a metabolite of Quinalphos, and is known to photocatalytically destroy antioxidant vitamins and biogenic amines in vitro and is genotoxic to both light- and dark-exposed bacteria.