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Ethyl-4-nitrocinnamat
AKOS 344 · RARECHEM AL BI 0194 · ETHYL 4-NITROCINNAMATE · ETHYL-P-NITROCINNAMATE · ETHYL 4-NITROCINNNAMATE · Ethyl 4-nitrocinnamate ,97% · 4-Nitrozimtsaeure-ethylester · p-nitro-cinnamicaciethylester
Identifikatoren & physikalische Daten
| CAS No. | 953-26-4 |
|---|---|
| Summenformel | C11H11NO4 |
| Durchschnittliche Molmasse | 221,21 g/mol |
| Monoisotopische Masse | 221,06880783 g/mol |
| SMILES | CCOC(=O)C=Cc1ccc([N+](=O)[O-])cc1 |
| InChIKey | PFBQVGXIMLXCQB-UHFFFAOYSA-N |
| PubChem CID | 95370 |
| EC No. | 213-463-0 |
| DTXSID | DTXSID8061347 |
| Lokaler Name | Ethyl-4-nitrocinnamat |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 72,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 274 |
| Schmelzpunkt | 138-140 °C(lit.) |
| Siedepunkt | 362.26°C (rough estimate) |
| Dichte | 0.87 g/cm3 (20℃) |
| Brechungsindex | 1.5200 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Fine Crystalline Powder |
| Farbe | Light yellow-beige to yellow |
| Löslichkeit | insoluble |
| BRN | 2052533 |
| InChI | 1S/C11H11NO4/c1-2-16-11(13)8-5-9-3-6-10(7-4-9)12(14)15/h3-8H,2H2,1H3/b8-5+ |
| InChIKey | PFBQVGXIMLXCQB-VMPITWQZSA-N |
| SMILES | CCOC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O |
| CAS Datenbank | 953-26-4(CAS DataBase Reference) |
| NIST chemische Informationen | Ethyl p-nitro cinnamate(953-26-4) |
| EPA chemische Informationen | 2-Propenoic acid, 3-(4-nitrophenyl)-, ethyl ester (953-26-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | 2-Propenoic acid, 3-(4-nitrophenyl)-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29163900 |
| RTECS-Nr. | GE0353332 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Ethyl 4-nitrocinnamate was used to study the kinetics of reduction of ethyl t-cinnamate and its substituted derivatives by samarium diiodide in the presence of hexamethylphosphoramide and t-butanol.