Chinolin-4-ol
4-HYDROXYQUINOLINE · QUINOLIN-4-OL · QUINOLIN-4(1H)-ONE · 4(1H)-QUINOLINONE · 4-QUINOLINOL · KYNURINE · AKOS 222-32 · 4-HydroxyquinoL
Identifikatoren & physikalische Daten
| CAS No. | 529-37-3 |
|---|---|
| Summenformel | C9H7NO |
| Durchschnittliche Molmasse | 145,16 g/mol |
| Monoisotopische Masse | 145,05276384 g/mol |
| SMILES | O=c1cc[nH]c2ccccc12 |
| InChIKey | PMZDQRJGMBOQBF-UHFFFAOYSA-N |
| PubChem CID | 69141 |
| ChEMBL | CHEMBL1232567 |
| ChEBI | CHEBI:155900 |
| EC No. | 210-268-2 |
| DTXSID | DTXSID50209980 |
| Lokaler Name | Chinolin-4-ol |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 198 |
| LogP (Verteilungskoeffizient) | 0.58 |
| Schmelzpunkt | 200-202 °C(lit.) |
| Siedepunkt | 264.27°C (rough estimate) |
| Dichte | 1.1555 (rough estimate) |
| Brechungsindex | 1.4500 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Soluble in methanol.4.8g/L(15 ºC) |
| Aggregatzustand | Crystalline Powder or Needles |
| pKa (Säurekonstante) | 2.23, 11.28(at 20℃) |
| Farbe | Light beige to yellow |
| BRN | 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 (Verteilungskoeffizient) | 2.450 (est) |
| CAS Datenbank | 611-36-9(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Quinolinol(611-36-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (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. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29334900 |
| RTECS-Nr. | VC4070000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Beschreibung
4-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.
Verwenden
4-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.