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5,7-Dichlor-2-methyl-8-chinolinol
CHLORQUINALDOL · Chlorquinalol · chloroquinaldol · Quesil · Siogen · Siogene · Siogeno · Siosept
Identifikatoren & physikalische Daten
| CAS No. | 72-80-0 |
|---|---|
| Summenformel | C10H7Cl2NO |
| Durchschnittliche Molmasse | 228,07 g/mol |
| Monoisotopische Masse | 226,9904692 g/mol |
| SMILES | Cc1ccc2c(Cl)cc(Cl)c(O)c2n1 |
| InChIKey | GPTXWRGISTZRIO-UHFFFAOYSA-N |
| PubChem CID | 6301 |
| ChEMBL | CHEMBL224325 |
| ChEBI | CHEBI:74500 |
| EC No. | 200-789-3 |
| DTXSID | DTXSID3048998 |
| Lokaler Name | 5,7-Dichlor-2-methyl-8-chinolinol |
Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 33,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 214 |
| Schmelzpunkt | 108-112108-112 °C (dec.)(lit.) |
| Siedepunkt | 350.7±37.0 °C(Predicted) |
| Dichte | 1.3126 (rough estimate) |
| Brechungsindex | 1.5500 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | DMSO, Methaol (Slightly)Insoluble |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 2.47±0.30(Predicted) |
| Farbe | Dark Beige to Very Dark Beige |
| Merck | 13,2209 |
| BRN | 156683 |
| InChI | 1S/C10H7Cl2NO/c1-5-2-3-6-7(11)4-8(12)10(14)9(6)13-5/h2-4,14H,1H3 |
| InChIKey | GPTXWRGISTZRIO-UHFFFAOYSA-N |
| SMILES | Cc1ccc2c(Cl)cc(Cl)c(O)c2n1 |
| CAS Datenbank | 72-80-0(CAS DataBase Reference) |
| NIST chemische Informationen | Chlorquinaldol(72-80-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (98.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 69 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 8-Quinolinol, 5,7-dichloro-2-methyl- |
| Weitere Sicherheitsinformationen | IMAP assessments - 8-Quinolinol, 5,7-dichloro-2-methyl-: Environment tier I assessment |
| Hazard Classes and Categories | Acute Tox. 4 (98.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2811 6.1/PG 3 |
| Zollcode | 2933998090 |
| RTECS-Nr. | VC5600000 |
| R-Sätze (R) | 22-36/37/38-23/24/25 |
| Gefahrensymbole | Xn,T |
| Sicherheitshinweise (S) | 26-36-36/37/39-45 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Verwenden
antiinfectant, antifungal