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N-(2-Hydroxyethyl)phthalimid
N-HYDROXYETHYLPHTHALIMIDE · N-(2-HYDROXYETHYL)PHTHALIMIDE · 1H-Isoindole-1,3(2H)-dione, 2-(2-hydroxyethyl)- · N-(2-Hydroxylethyl) Phthalimide · AKOS BBS-00004429 · TIMTEC-BB SBB003638 · 2-PHTHALIMIDOETHANOL · N-Hydroxyethylphthal
Identifikatoren & physikalische Daten
| CAS No. | 3891-07-4 |
|---|---|
| Summenformel | C10H9NO3 |
| Durchschnittliche Molmasse | 191,18 g/mol |
| Monoisotopische Masse | 191,05824315 g/mol |
| SMILES | O=C1c2ccccc2C(=O)N1CCO |
| InChIKey | MWFLUYFYHANMCM-UHFFFAOYSA-N |
| PubChem CID | 77499 |
| EC No. | 223-434-4 |
| DTXSID | DTXSID1063225 |
| Lokaler Name | N-(2-Hydroxyethyl)phthalimid |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 57,6 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 240 |
| Schmelzpunkt | 126-128 °C(lit.) |
| Siedepunkt | 326.92°C (rough estimate) |
| Dichte | 1.2722 (rough estimate) |
| Brechungsindex | 1.5310 (estimate) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 14.40±0.10(Predicted) |
| Farbe | White |
| BRN | 147214 |
| InChI | InChI=1S/C10H9NO3/c12-6-5-11-9(13)7-3-1-2-4-8(7)10(11)14/h1-4,12H,5-6H2 |
| InChIKey | MWFLUYFYHANMCM-UHFFFAOYSA-N |
| SMILES | C1(=O)C2=C(C=CC=C2)C(=O)N1CCO |
| CAS Datenbank | 3891-07-4(CAS DataBase Reference) |
| NIST chemische Informationen | N-2-hydroxyethyl phthalimide(3891-07-4) |
| EPA chemische Informationen | 1H-Isoindole-1,3(2H)-dione, 2-(2-hydroxyethyl)- (3891-07-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (27.7%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 148 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 24-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21914 |
| Hazard Classes and Categories | Skin Irrit. 2 (27.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29251900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 22-26-36/37/39-24/25 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2 |
Anwendungen & Verwendung
Verwenden
N-(2-Hydroxyethyl)phthalimide is used as a reagent to synthesize (-)-R-rolipram is a phosphodiesterase 4 inhibitor that is used to treat depression. N-(2-Hydroxyethyl)phthalimide is also used as a reagent to synthesize FR252921, a compound that acts as an immunosuppressant. Amlodipine Impurity 6