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2-Chlor-4-methylchinolin
2-CHLORO-4-METHYLQUINOLINE · AKOS BB-6898 · Chlorolepidine · 3-chlorolepidine · 2-Chlorolepidine · AKOS BBS-00000215 · Lepidine, 2-chloro- · 2-Chlorolepidine >OTAVA-BB BB0116110026
Identifikatoren & physikalische Daten
| CAS No. | 634-47-9 |
|---|---|
| Summenformel | C10H8ClN |
| Durchschnittliche Molmasse | 177,63 g/mol |
| Monoisotopische Masse | 177,03452694 g/mol |
| SMILES | Cc1cc(Cl)nc2ccccc12 |
| InChIKey | PFEIMKNQOIFKSW-UHFFFAOYSA-N |
| PubChem CID | 69449 |
| EC No. | 211-209-3 |
| DTXSID | DTXSID00212808 |
| Lokaler Name | 2-Chlor-4-methylchinolin |
Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 160 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Schmelzpunkt | 55-58 °C(lit.) |
| Siedepunkt | 296 °C(lit.) |
| Dichte | 1.1810 (rough estimate) |
| Brechungsindex | 1.6224 (estimate) |
| Flammpunkt | 296°C |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 0.98±0.50(Predicted) |
| Farbe | White to Almost white |
| BRN | 118333 |
| InChI | InChI=1S/C10H8ClN/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1H3 |
| InChIKey | PFEIMKNQOIFKSW-UHFFFAOYSA-N |
| SMILES | N1C2C(=CC=CC=2)C(C)=CC=1Cl |
| CAS Datenbank | 634-47-9(CAS DataBase Reference) |
| NIST chemische Informationen | Quinoline, 2-chloro-4-methyl-(634-47-9) |
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 45 reports by companies from 5 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 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39-36-24/25 |
| Lagerklasse | 13 - Non Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2-Chloro-4-methyl-quinoline is a useful synthetic intermediate. It is an intermediate used to synthesize 4-Methyl-2-(1-piperidinyl)-quinoline (M320715) which is a potent inhibitor of TRPC4 channels, responsible for various stimulation, muscle response due to interaction with the environment. 2-Chloro-4-methyl-quinoline is also considered as a cyanine dye.