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1-Benzyl-1H-pyrrol-2,5-dion
1-BENZYL-1H-PYRROLE-2,5-DIONE · eimide · AKOS 90883 · AKOS MSC-0016 · Benzylmaleimid · ASISCHEM D48963 · N-Benzylmaleimid · N-BENZYLMALEIMIDE
Identifikatoren & physikalische Daten
| CAS No. | 1631-26-1 |
|---|---|
| Summenformel | C11H9NO2 |
| Durchschnittliche Molmasse | 187,19 g/mol |
| Monoisotopische Masse | 187,06332853 g/mol |
| SMILES | O=C1C=CC(=O)N1Cc1ccccc1 |
| InChIKey | MKRBAPNEJMFMHU-UHFFFAOYSA-N |
| PubChem CID | 74204 |
| ChEMBL | CHEMBL388979 |
| EC No. | 216-631-1 |
| DTXSID | DTXSID50167511 |
| Lokaler Name | 1-Benzyl-1H-pyrrol-2,5-dion |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 259 |
| Schmelzpunkt | 70 °C (lit.) |
| Siedepunkt | 177 °C / 20mmHg |
| Dichte | 1 g/cm3 |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)Insoluble |
| pKa (Säurekonstante) | -2.21±0.20(Predicted) |
| Aggregatzustand | powder to crystal |
| Farbe | White to Almost white |
| BRN | 135801 |
| InChI | InChI=1S/C11H9NO2/c13-10-6-7-11(14)12(10)8-9-4-2-1-3-5-9/h1-7H,8H2 |
| InChIKey | MKRBAPNEJMFMHU-UHFFFAOYSA-N |
| SMILES | N1(CC2=CC=CC=C2)C(=O)C=CC1=O |
| CAS Datenbank | 1631-26-1(CAS DataBase Reference) |
| NIST chemische Informationen | N-benzylmaleimide(1631-26-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (98%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 51 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (98%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1759 8/PG 2 |
| Zollcode | 29251900 |
| R-Sätze (R) | 34-25-20/21 |
| Gefahrensymbole | C,T |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
N-Benzylmaleimide is used as plastic additive, Pharmaceutical Intermediates. It is an important raw material intermediate used in organic Synthesis, Pharmaceuticals, Agrochemicals Dyestuff.