2,6-Dihydroxyquinoline

HCID 177065CAS 19315-93-6

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Grundinformationen

Standard-SMILES: O=c1ccc2cc(O)ccc2[nH]1
InChIKey: AQLYZDRHNHZHIS-UHFFFAOYSA-N
Summenformel: C9H7NO2
Durchschnittliche Molmasse: 161,16 g/mol
Monoisotopische Masse: 161,04767846

Überblick

Quinoline-2,6-diol is a dihydroxyquinoline that is quinoline in which the hydrogens at positions 2 and 6 are replaced by hydroxy groups.

Namen und Bezeichner

Bevorzugter Name: 2,6-Dihydroxyquinoline
IUPAC: 6-hydroxy-1H-quinolin-2-one
Englischer Name: 2,6-Dihydroxyquinoline
Summenformel: C9H7NO2
Molmasse: 161.16

Namen und Synonyme

2,6-dihydroxyquinoline6-Hydroxy-2(1H)-quinolinoneRefChem:445585626-682-519315-93-66-hydroxyquinolin-2(1H)-onequinoline-2,6-diol2,6-Quinolinediol6-hydroxy-1H-quinolin-2-one2(1H)-Quinolinone, 6-hydroxy-6-Hydroxyquinoline-(1H)-2-one6-HYDROXYCARBOSTYRIL

Weitere Namen anzeigen

QUINOLIN-6-OLAKOS 222-066-hydroquinilinoneBiotin Impurity 38TIMTEC-BB SBB0041172, 6-Hydroxy-quinoline

MFCD002394466-Hydroxyquinolin-2-one1,2-Dihydro-6-hydroxy-2-oxoquinolinequinoline2,6-diol6-hydroxy-carbostyril6-hydroxy-2-quinolone6-hydroxyquinoline-2-one9JPS252FZW

Datenbank-Bezeichner

CAS: 19315-93-6
PubChem CID: 177065
DTXSID: DTXSID70940989
ChEBI: CHEBI:48490
UNII: 9JPS252FZW
EC Number: 626-682-5
Nikkaji: J28.249I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 49,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 225

Physikochemische Eigenschaften

Schmelzpunkt: 188 · 188-190 °C(lit.)
Siedepunkt: 449.4 · 449.4±45.0 °C(Predicted)
Dichte: 1.337 · 1.337±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 9.61 · 9.61±0.20(Predicted)
Farbe: Off-White to Pale Beige
InChI: InChI=1S/C9H7NO2/c11-7-2-3-8-6(5-7)1-4-9(12)10-8/h1-5,11H,(H,10,12)
InChIKey: AQLYZDRHNHZHIS-UHFFFAOYSA-N
SMILES: N1C2=C(C=C(O)C=C2)C=CC1=O
CAS Datenbank: 19315 · 19315-93-6(CAS DataBase Reference)

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 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.