HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Methylchinolin
Quinoline, 3-methyl- · NSC 109149 · 3-methyquinoline · 3-METHYLQUINOLINE · 3-methyl-quinolin · beta-Methylquinoline · 3-Methylquinoline>3-Methylquinoline,99% · 3-Methylquinoline, 98+%
Identifikatoren & physikalische Daten
| CAS No. | 612-58-8 |
|---|---|
| Summenformel | C10H9N |
| Durchschnittliche Molmasse | 143,18 g/mol |
| Monoisotopische Masse | 143,07349929 g/mol |
| SMILES | Cc1cnc2ccccc2c1 |
| InChIKey | DTBDAFLSBDGPEA-UHFFFAOYSA-N |
| PubChem CID | 11926 |
| ChEMBL | CHEMBL195661 |
| ChEBI | CHEBI:20140 |
| EC No. | 210-315-7 |
| DTXSID | DTXSID60210108 |
| Lokaler Name | 3-Methylchinolin |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 133 |
| Stoffklassen | Nitrogen Compounds -> Quinolines |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| Dampfdruck | 0.00953 [mmHg] |
| Physical Description | Melting point = 16.5 deg C[ChemIDplus] Colorless liquid[Alfa Aesar MSDS] |
| Schmelzpunkt | 16-17 °C (lit.) |
| Siedepunkt | 252-253 °C (lit.) |
| Dichte | 1.069 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.615(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Acetonitrile (Slightly), Chloroform (Slightly) |
| Aggregatzustand | powder to lump to clear liquid |
| pKa (Säurekonstante) | 5.17±0.11(Predicted) |
| Farbe | White or Colorless to Light yellow |
| BRN | 110325 |
| InChI | InChI=1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-7H,1H3 |
| InChIKey | DTBDAFLSBDGPEA-UHFFFAOYSA-N |
| SMILES | N1C2C(=CC=CC=2)C=C(C)C=1 |
| CAS Datenbank | 612-58-8(CAS DataBase Reference) |
| NIST chemische Informationen | Quinoline, 3-methyl-(612-58-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH312 (88.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, 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. |
|---|---|
| Gefahrenübersicht | An irritant[Alfa Aesar MSDS] See Quinoline. |
| Hazard Classes and Categories | Acute Tox. 4 (88.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29334900 |
| RTECS-Nr. | VC0527000 |
| R-Sätze (R) | 20/21/22-36/37/38-40-68-22 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-27-36/37/39-45 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Acute Tox. 4 DermalCarc. 2Eye Dam. 1Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
3-Methylquinoline may be used as carbon, nitrogen and energy supplement to investigate its degradation by Comamonas testosteroni 63. It may be used as ligand in the preparation of tetra-μ-benzoato-bis[(3-methylquinoline)copper(II)], a paddle-wheel-type dinuclear complex.