HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Chlorchinolin-8-ol
Cloxyquin · cloxiquine · Cloxiquin · 5-CHLORO-8-QUINOLINOL · Cloxyqui · Chlorisept · Cloxyquine · Dermofungin
Identifikatoren & physikalische Daten
| CAS No. | 130-16-5 |
|---|---|
| Summenformel | C9H6ClNO |
| Durchschnittliche Molmasse | 179,6 g/mol |
| Monoisotopische Masse | 179,0137915 g/mol |
| SMILES | Oc1ccc(Cl)c2cccnc12 |
| InChIKey | CTQMJYWDVABFRZ-UHFFFAOYSA-N |
| PubChem CID | 2817 |
| ChEMBL | CHEMBL225164 |
| ChEBI | CHEBI:134818 |
| EC No. | 204-978-1 |
| DTXSID | DTXSID4045973 |
| Lokaler Name | 5-Chlorchinolin-8-ol |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 33,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 165 |
| Collision Cross Section | 132.71 Ų [M+H-H2O]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]129.5 Ų [M+H]+ [CCS Type: TW |
| Schmelzpunkt | 122-124 °C(lit.) |
| Siedepunkt | 348.7±22.0 °C(Predicted) |
| Dichte | 1.2364 (rough estimate) |
| Dampfdruck | 0.003Pa at 25℃ |
| Brechungsindex | 1.5330 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | 0.019g/l (experimental) |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 3.77±0.10(Predicted) |
| Farbe | Light green to gray |
| Merck | 14,2422 |
| BRN | 5289 |
| InChI | 1S/C9H6ClNO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H |
| InChIKey | RWPWQYXFGFYJBA-UHFFFAOYSA-N |
| SMILES | Oc1ccc(Cl)c2cccnc12 |
| CAS Datenbank | 130-16-5(CAS DataBase Reference) |
| NIST chemische Informationen | 8-Quinolinol, 5-chloro-(130-16-5) |
| EPA chemische Informationen | 8-Quinolinol, 5-chloro- (130-16-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 0.7% (1 of 134) of reports.DangerH315 (76.9%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 134 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | REACH registered substance: Cloxiquine (EC: 204-978-1)5-Chloro-8-quinolinol: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (76.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29334990 |
| RTECS-Nr. | VC4590000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-24/25 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Sens. 1 |
Anwendungen & Verwendung
Verwenden
antibacterial, antifungal