Chinolin-4-ol

4-Hydroxyquinoline

HCID 69141CAS 529-37-3

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Grundinformationen

Standard-SMILES: O=c1cc[nH]c2ccccc12
InChIKey: PMZDQRJGMBOQBF-UHFFFAOYSA-N
Summenformel: C9H7NO
Durchschnittliche Molmasse: 145,16 g/mol
Monoisotopische Masse: 145,05276384

Überblick

4-quinolone is a quinolone that is 1,4-dihydroquinoline substituted by an oxo group at position 4. It is a tautomer of a quinolin-4-ol.

Namen und Bezeichner

Bevorzugter Name: 4-Hydroxyquinoline
IUPAC: 1H-quinolin-4-one
Lokaler Name: Chinolin-4-ol
Englischer Name: 4-Quinolinol
Summenformel: C9H7NO
Molmasse: 145.16

Namen und Synonyme

4-HydroxyquinolineQuinolin-4-ol611-36-91H-quinolin-4-oneKynurineM1O131WXFODTXSID50209980CHEBI:15815RefChem:524086DTXCID00132471210-268-24-Quinolinol

Weitere Namen anzeigen

AKOS 222-324-HydroxyquinoL4-Quinolinol 98%4-Quinolinol >

quinolin-4(1H)-one4(1H)-Quinolinone529-37-34-QuinoloneQuinoline, 4-hydroxy-MFCD000067774-hydroxy quinoline4-Chinolinol

Datenbank-Bezeichner

CAS: 529-37-3、611-36-9
PubChem CID: 69141
DTXSID: DTXSID50209980
ChEMBL: CHEMBL1232567
ChEBI: CHEBI:155900
UNII: M1O131WXFO
EC Number: 210-268-2
Nikkaji: J387.250E、J7.017C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 29,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 198

Experimentelle und physikochemische Eigenschaften

LogP0.58

Physikochemische Eigenschaften

Schmelzpunkt: 200 · 200-202 °C(lit.)
Siedepunkt: 264.27 °C · 264.27°C (rough estimate)
Dichte: 1.1555 · 1.1555 (rough estimate)
Brechungsindex: 1.45 · 1.4500 (estimate)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Soluble in methanol.
Aggregatzustand: Crystalline Powder or Needles
pka: 2.23 · 2.23, 11.28(at 20℃)
Farbe: Light beige to yellow
Wasserlöslichkeit: 4.8 g/L · 4.8g/L(15 ºC)
BRN: 1524969 · 1524969
InChI: 1S/C9H7NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,10,11)
InChIKey: PMZDQRJGMBOQBF-UHFFFAOYSA-N
SMILES: Oc1ccnc2ccccc12
LogP: 2.45 · 2.450 (est)
CAS Datenbank: 611 · 611-36-9(CAS DataBase Reference)
NIST chemische Informationen: 4 · 4-Quinolinol(611-36-9)

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 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29334900
RTECS-Nr.: VC4070000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 2 Einträge

Beschreibung4-Hydroxyquinoline is a quinoline alkaloid that has been found in Z. lotus honeys. It is a core component of alkyl-4-hydroxyquinoline quorum sensing molecules such as 2-heptyl-3-hydroxy-4(1H)-quinolone and 2-nonyl-3-hydroxy-4-quinolone. 4-Hydroxyquinoline has been used as a precursor in the synthesis of compounds with antibacterial activity. It has also been used as a fluorescent detection reagent for iron(III) in bovine liver samples.

Verwenden4-Hydroxyquinolineis is a raw material in medical research, a hydroxylated quinoline derivative with antimicrobial activity. 4-Hydroxyquinoline showed growth-inhibitory effects against intestinal bacteria. 4-Hydroxyquinoline act as sacrifi cial scavengers of the photogenerated oxygen species and has been shown to prevent the photodegradation of riboflavin.