HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Phenylmorpholin
N-PHENYLMORPHOLINE · Phenylmorpholine · Morpholinobenzol · Compound PDK0399 · N-Phenylmorpholin · MORPHOLINOBENZENE · 4-PHENYLMORPHOLINE · N-Phenyl-morpholin
Identifikatoren & physikalische Daten
| CAS No. | 92-53-5 |
|---|---|
| Summenformel | C10H13NO |
| Durchschnittliche Molmasse | 163,22 g/mol |
| Monoisotopische Masse | 163,09971404 g/mol |
| SMILES | c1ccc(N2CCOCC2)cc1 |
| InChIKey | FHQRDEDZJIFJAL-UHFFFAOYSA-N |
| PubChem CID | 62339 |
| ChEMBL | CHEMBL4435329 |
| EC No. | 202-164-0 |
| DTXSID | DTXSID8059057 |
| Lokaler Name | 4-Phenylmorpholin |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 126 |
| SpringerMaterials Properties | Chemical shift |
| LogP (Verteilungskoeffizient) | 1.36 |
| Schmelzpunkt | 51-54 °C(lit.) |
| Siedepunkt | 165-170 °C45 mm Hg(lit.) |
| Dichte | 1.053 g/cm3 (60℃) |
| Dampfdichte | 5.63 (vs air) |
| Dampfdruck | <0.1 mm Hg ( 20 °C) |
| Brechungsindex | 1.5400 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | 3.46 g/L |
| pKa (Säurekonstante) | 5.19±0.40(Predicted) |
| Aggregatzustand | powder to crystal |
| Farbe | White to Light yellow to Light red |
| InChI | 1S/C10H13NO/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-5H,6-9H2 |
| InChIKey | FHQRDEDZJIFJAL-UHFFFAOYSA-N |
| SMILES | C1CN(CCO1)c2ccccc2 |
| LogP (Verteilungskoeffizient) | 1.360 (est) |
| CAS Datenbank | 92-53-5(CAS DataBase Reference) |
| NIST chemische Informationen | Morpholine, 4-phenyl-(92-53-5) |
| EPA chemische Informationen | Morpholine, 4-phenyl- (92-53-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P262, P264, P270, P280, P301+P317, P302+P352, P316, P321, P330, P361+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 70 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2811 6.1/PG 3 |
| Zollcode | 29349990 |
| RTECS-Nr. | QE8575000 |
| R-Sätze (R) | 22-24 |
| Toxizität | LD50 orally in Rabbit: 930 mg/kg LD50 dermal Rabbit 360 mg/kg |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 36/37-45-36/37/39-28A |
| Gefahrenklasse | 6.1(b)Acute Tox. 3 DermalAcute Tox. 4 Oral |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Selbstentzündungstemperatur | 410 °C |
Anwendungen & Verwendung
Verwenden
4-Phenylmorpholine was used as internal standard during the determination of alkaloids by gas chromatographic method.