HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Methoxypyridin
Pyridine, 4-methoxy- · 4-Methoxypyridin · 4-methoxyridine · 4-methoxypridine · 4-METHOXYPYRIDINE · 4-Methoxypyridine>gamma-Methoxypyridine · 4-Methoxypyridine,99% · 4-Methoxypyridine 95+%
Identifikatoren & physikalische Daten
| CAS No. | 620-08-6 |
|---|---|
| Summenformel | C6H7NO |
| Durchschnittliche Molmasse | 109,13 g/mol |
| Monoisotopische Masse | 109,05276384 g/mol |
| SMILES | COc1ccncc1 |
| InChIKey | XQABVLBGNWBWIV-UHFFFAOYSA-N |
| PubChem CID | 69278 |
| EC No. | 210-624-7 |
| DTXSID | DTXSID10211029 |
| Lokaler Name | 4-Methoxypyridin |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 22,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 59,5 |
| SpringerMaterials Properties | Chemical shift |
| LogP (Verteilungskoeffizient) | 1.0 |
| Ionization Efficiency | Positive3.242.7Agilent XCTElectrospray ionizationformic acid (5.3nM) |
| Schmelzpunkt | 4 °C |
| Siedepunkt | 108-111 °C/65 mmHg (lit.) |
| Dichte | 1.075 g/mL at 25 °C (lit.) |
| Brechungsindex | 1.518-1.522 |
| Flammpunkt | 74 °C |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 6.58(at 25℃) |
| Wichte | 1.075 |
| Farbe | Clear colorless to slightly yellow |
| BRN | 108211 |
| InChI | InChI=1S/C6H7NO/c1-8-6-2-4-7-5-3-6/h2-5H,1H3 |
| InChIKey | XQABVLBGNWBWIV-UHFFFAOYSA-N |
| SMILES | C1=NC=CC(OC)=C1 |
| CAS Datenbank | 620-08-6(CAS DataBase Reference) |
| NIST chemische Informationen | Pyridine, 4-methoxy-(620-08-6) |
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 62 reports by companies from 9 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 | 29339900 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 37/39-26-36-36/37/39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
4-Methoxypyridine, is used as a building block for the synthesis of some biologically active compounds. It is used for the preparation of a new series of benzoylated N-ylides as protein farnesyltransferase inhibitors.