HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Morpholinobenzaldehyde
4-(4-FORMYLPHENYL)MORPHOLINE · 4-(4-MORPHOLINYL)BENZALDEHYDE · 4-MORPHOLINOBENZENECARBALDEHYDE · 4-MORPHOLIN-4-YL-BENZALDEHYDE · AKOS BC-2976 · AKOS BBS-00004794 · BUTTPARK 98\50-29 · IFLAB-BB F1274-0239
Identifikatoren & physikalische Daten
| CAS No. | 1204-86-0 |
|---|---|
| Summenformel | C11H13NO2 |
| Durchschnittliche Molmasse | 191,23 g/mol |
| Monoisotopische Masse | 191,09462866 g/mol |
| SMILES | O=Cc1ccc(N2CCOCC2)cc1 |
| InChIKey | FOAQOAXQMISINY-UHFFFAOYSA-N |
| PubChem CID | 291349 |
| ChEMBL | CHEMBL1874107 |
| EC No. | 895-182-9 |
| DTXSID | DTXSID30303076 |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 182 |
| Schmelzpunkt | 65-69 °C |
| Siedepunkt | 365.5±37.0 °C(Predicted) |
| Dichte | 1.163±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 1.87±0.40(Predicted) |
| Farbe | Light yellow to Yellow to Orange |
| CAS Datenbank | 1204-86-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (50%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29349990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37/39-24/25 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
4-Morpholinobenzaldehyde is mainly used as a raw material for organic synthesis. It can be used to prepare dihydrotetrazolopyrimidine derivatives (ethyl 5-methyl-7-(4-morpholinophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate), coumarin-based chalcone derivatives ((E)-3-[3-(4-(4-morpholinophenyl)acryloyl]-2H-chromen-2-one) and Ru(II) polypyridine complexes, among others.