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4-Methoxybenzylamine
(4-Methoxyphenyl)methanamine · pmbnh2 · P-METHOXYBENZYLAMINE · 1-(4-methoxyphenyl)methanamine · 4MBA · Para Methoxy Benzyl Amine · Benzenemethanamine, 4-methoxy- · NSC 9269
Identifikatoren & physikalische Daten
| CAS No. | 2393-23-9 |
|---|---|
| Summenformel | C8H11NO |
| Durchschnittliche Molmasse | 137,18 g/mol |
| Monoisotopische Masse | 137,08406397 g/mol |
| SMILES | COc1ccc(CN)cc1 |
| InChIKey | IDPURXSQCKYKIJ-UHFFFAOYSA-N |
| PubChem CID | 75452 |
| ChEMBL | CHEMBL12720 |
| ChEBI | CHEBI:49837 |
| DTXSID | DTXSID2062371 |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 87 |
| Physical Description | Colorless liquid with an amine-like odor[Alfa Aesar MSDS] |
| Kovats Retention Index | 1232.6 |
| Schmelzpunkt | -10°C |
| Siedepunkt | 236-237 °C (lit.) |
| Dichte | 1.05 g/mL at 25 °C (lit.) |
| Dampfdruck | 26.67Pa at 50℃ |
| Brechungsindex | n20/D 1.546(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
| Löslichkeit | soluble in Chloroform, MethanolIt is highly soluble in water. |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 9.30±0.10(Predicted) |
| Wichte | 1.050 |
| Farbe | Clear colorless to slightly yellow |
| BRN | 508206 |
| LogP (Verteilungskoeffizient) | 1.15 at 25℃ |
| CAS Datenbank | 2393-23-9(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenemethanamine, 4-methoxy-(2393-23-9) |
| EPA chemische Informationen | Benzenemethanamine, 4-methoxy- (2393-23-9) |
Sicherheit & Vorschriften
| Regulatorische Informationen | 4-Methoxybenzylamine: Does not have an individual approval but may be used under an appropriate group standard |
|---|---|
| Gefahrenübersicht | Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungsToxic by ingestion[Alfa Aesar MSDS] See Benzylamine. |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns.Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors. |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2735 8/PG 2 |
| Zollcode | 29222900 |
| R-Sätze (R) | 34-37-22 |
| Gefahrensymbole | C |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-36/37/39-45-27 |
| Gefahrenklasse | 8 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
4-Methoxybenzylamine is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuff. It is also used fine chemical intemediate.