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4-Chloro-6,7-dimethoxyquinoline
4-Chloro-6,7-dimethoxyquioline · 6,7-DIMETHOXY-4-CHLOROQUINOLINE · 4-CHLORO-6 · 7-DIMETHOXYQUINOLINE · oro-6,7-dimethoxyquinoL · Cabozantinib Impurity 71 · Cabozantinib Chloro Analog · 4-CHLORO-6,7-DIMETHOXYQUINOLINE
Identifikatoren & physikalische Daten
| CAS No. | 35654-56-9 |
|---|---|
| Summenformel | C11H10ClNO2 |
| Durchschnittliche Molmasse | 223,65 g/mol |
| Monoisotopische Masse | 223,04000624 g/mol |
| SMILES | COc1cc2nccc(Cl)c2cc1OC |
| InChIKey | WRVHQEYBCDPZEU-UHFFFAOYSA-N |
| PubChem CID | 459610 |
| EC No. | 109-055-6 |
| DTXSID | DTXSID30332684 |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 31,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 215 |
| Schmelzpunkt | 132.0 to 136.0 °C |
| Siedepunkt | 325.2±37.0 °C(Predicted) |
| Dichte | 1.265±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 3.95±0.30(Predicted) |
| Farbe | Pale Brown to Light Brown |
| InChI | InChI=1S/C11H10ClNO2/c1-14-10-5-7-8(12)3-4-13-9(7)6-11(10)15-2/h3-6H,1-2H3 |
| InChIKey | WRVHQEYBCDPZEU-UHFFFAOYSA-N |
| SMILES | N1C2C(=CC(OC)=C(OC)C=2)C(Cl)=CC=1 |
| CAS Datenbank | 35654-56-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (98%): 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 51 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (98%)Acute Tox. 3 (100%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| UN-Transportnummer | UN2811 |
| Zollcode | 29334900 |
| R-Sätze (R) | 25 |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 45-24/25 |
| Gefahrenklasse | IRRITANTAcute Tox. 3 Oral |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
4-Chloro-6,7-dimethoxyquinoline, can be used as an intermediate for the synthesis of various pharmaceutical and biologically active compounds. It is used for the preparation of Tivozanib (T447205), and Cabozantinib (C051500), acting as anticancer agents.