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4,7-Dichlorchinolin
COPPER SEBACATE · Sulfate Impurity · 4,7-dichloro-quinolin · Chloroquine Related CoMpound A · tl1473 · TL 1473 · 4, 7-dichloroquine · 7-Dichloroquinoline
Identifikatoren & physikalische Daten
| CAS No. | 86-98-6 |
|---|---|
| Summenformel | C9H5Cl2N |
| Durchschnittliche Molmasse | 198,05 g/mol |
| Monoisotopische Masse | 196,9799046 g/mol |
| SMILES | Clc1ccc2c(Cl)ccnc2c1 |
| InChIKey | HXEWMTXDBOQQKO-UHFFFAOYSA-N |
| PubChem CID | 6866 |
| ChEMBL | CHEMBL319828 |
| EC No. | 201-714-7 |
| DTXSID | DTXSID0052590 |
| Lokaler Name | 4,7-Dichlorchinolin |
Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 163 |
| Dampfdruck | 0.00077 [mmHg]0.103Pa at 25℃ |
| Physical Description | Crystals[Alfa Aesar MSDS] |
| Schmelzpunkt | 81-83 °C (lit.) |
| Siedepunkt | 298.4 °F (148°C) |
| Dichte | 1.4178 (rough estimate) |
| Brechungsindex | 1.6300 (estimate) |
| Flammpunkt | 164 °C |
| Lagerbedingungen | 2-30°C |
| Löslichkeit | chloroform: soluble50mg/mL, clear, colorless to greenish-yellowinsoluble |
| pKa (Säurekonstante) | 1.99±0.27(Predicted) |
| Aggregatzustand | Powder |
| Farbe | White to pale brown |
| pH | 3.86 (24.9°C) |
| Biologische Quelle | synthetic |
| BRN | 125359 |
| Henry-Konstante | 2.6×101 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| InChI | 1S/C9H5Cl2N/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H |
| InChIKey | HXEWMTXDBOQQKO-UHFFFAOYSA-N |
| SMILES | Clc1ccc2c(Cl)ccnc2c1 |
| LogP (Verteilungskoeffizient) | 3.193 at 25℃ |
| CAS Datenbank | 86-98-6(CAS DataBase Reference) |
| NIST chemische Informationen | Quinoline, 4,7-dichloro-(86-98-6) |
| EPA chemische Informationen | 4,7-Dichloroquinoline (86-98-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (91.2%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (20.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (83.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (66.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H411 (14.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 68 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: Quinoline, 4,7-dichloro-Status: Active Update: 14-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/21034Status: Active Update: 21-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22661 |
| Gefahrenübersicht | Subcutaneous LDLo (mouse) = 80 mg/kg[RTECS] A skin and strong eye irritant[Alfa Aesar MSDS] See Quinoline. |
| Hazard Classes and Categories | Skin Irrit. 2 (91.2%)Skin Sens. 1B (20.6%)Eye Irrit. 2 (83.8%)STOT SE 3 (66.2%)Aquatic Chronic 2 (14.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29334910 |
| RTECS-Nr. | VB4200000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-22 |
| Lagerklasse | 13 - Non Combustible Solids |
| Gefahrenklasse | Aquatic Chronic 2Eye Irrit. 2Skin Irrit. 2Skin Sens. 1 |
Anwendungen & Verwendung
Verwenden
4,7-Dichloroquinoline is used in the synthesis of hybrid aminoquinoline-triazine derivatives that show anti-microbial activity. In addition, it is used in the synthesis of novel oxazolidinones as anti -microbial agents showing efficacy against common bacterial strains. Chloroquinoline impurity.