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Pyrrolidin-1-carbaldehyd
1-PYRROLIDINECARBOXALDEHYDE · N-FORMYLPYRROLIDINE · pyrrolidine-1-carbaldehyde · prolinal · 1-formylpyrolidine · 1-FORMYLPYRROLIDINE · TIMTEC-BB SBB008020 · 1-ForMylpyrrolidine 97%
Identifikatoren & physikalische Daten
| CAS No. | 3760-54-1 |
|---|---|
| Summenformel | C5H9NO |
| Durchschnittliche Molmasse | 99,13 g/mol |
| Monoisotopische Masse | 99,06841391 g/mol |
| SMILES | O=CN1CCCC1 |
| InChIKey | AGRIQBHIKABLPJ-UHFFFAOYSA-N |
| PubChem CID | 77372 |
| ChEMBL | CHEMBL4745604 |
| ChEBI | CHEBI:178202 |
| EC No. | 223-175-7 |
| DTXSID | DTXSID40191042 |
| Lokaler Name | Pyrrolidin-1-carbaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | -0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 66,5 |
| Stoffklassen | Nitrogen Compounds -> Other Nitrogen Compounds |
| SpringerMaterials Properties | Schoenflies notation |
| LogP (Verteilungskoeffizient) | -0.32 |
| Dampfdruck | 1.28 [mmHg] |
| Physical Description | Clear light brown liquid[Aldrich MSDS] |
| Siedepunkt | 92-94 °C/15 mmHg (lit.) |
| Dichte | 1.04 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.479(lit.) |
| Flammpunkt | 203 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | liquid |
| pKa (Säurekonstante) | -0.44±0.20(Predicted) |
| BRN | 106540 |
| InChI | InChI=1S/C5H9NO/c7-5-6-3-1-2-4-6/h5H,1-4H2 |
| InChIKey | AGRIQBHIKABLPJ-UHFFFAOYSA-N |
| SMILES | N1(C=O)CCCC1 |
| CAS Datenbank | 3760-54-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | May cause irritation[Aldrich MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| Sicherheitshinweise (S) | 23-24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
1-Formylpyrrolidine was used in the synthesis of 1-oxa-3,4-dimethyl-5-(1-pyrrolldino)-2,2-di(tert-butyl)silacyclopentane and 1-oxa-4-isopropyl-5-(1-pyrrolidino)-2,2-di(tert-butyl)silacyclopentane.