HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Morpholin-4-carbonitril
morpholine-4-carbonitrile · NSC44243 · NSC 44243 · N-CYANMORPHOLINE · 4-Cyanomorpholine · N-CYANOMORPHOLINE · 4-MORPHOLINECARBONITRILE · 4-Morpholinocarbonitrile
Identifikatoren & physikalische Daten
| CAS No. | 1530-89-8 |
|---|---|
| Summenformel | C5H8N2O |
| Durchschnittliche Molmasse | 112,13 g/mol |
| Monoisotopische Masse | 112,06366288 g/mol |
| SMILES | N#CN1CCOCC1 |
| InChIKey | BOQOXLAQTDFJKU-UHFFFAOYSA-N |
| PubChem CID | 73738 |
| EC No. | 216-235-9 |
| DTXSID | DTXSID50165193 |
| Lokaler Name | Morpholin-4-carbonitril |
Chemische & physikalische Eigenschaften
| XLogP | 0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 36,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 109 |
| Siedepunkt | 71-73 °C/0.6 mmHg (lit.) |
| Dichte | 1.109 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.473(lit.) |
| Flammpunkt | 220 °F |
| Lagerbedingungen | 2-8°C, protect from light |
| Löslichkeit | soluble in Chloroform, Methanol |
| Aggregatzustand | Oil |
| pKa (Säurekonstante) | -6.85±0.20(Predicted) |
| Farbe | Clear Colorless |
| InChI | InChI=1S/C5H8N2O/c6-5-7-1-3-8-4-2-7/h1-4H2 |
| InChIKey | BOQOXLAQTDFJKU-UHFFFAOYSA-N |
| SMILES | N1(C#N)CCOCC1 |
| CAS Datenbank | 1530-89-8 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.5%) |
| Wassergefährdungsklasse (WGK) | 3 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-37/39 |
| Gefahrenklasse | IRRITANTSTOT SE 3 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
4-Morpholinecarbonitrile was used in the synthesis of substituted heterocyclic compounds.