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Acetoacetamid
3-oxobutanamide · Nsc632231 · Aids134414 · Aids-134414 · Acetoacetamid · ACETIACETAMIDE · ACETOACETAMIDE · β-Oxobutanamide
Identifikatoren & physikalische Daten
| CAS No. | 5977-14-0 |
|---|---|
| Summenformel | C4H7NO2 |
| Durchschnittliche Molmasse | 101,1 g/mol |
| Monoisotopische Masse | 101,04767846 g/mol |
| SMILES | CC(=O)CC(N)=O |
| InChIKey | GCPWJFKTWGFEHH-UHFFFAOYSA-N |
| PubChem CID | 80077 |
| ChEMBL | CHEMBL1984636 |
| ChEBI | CHEBI:28515 |
| EC No. | 227-774-4 |
| DTXSID | DTXSID1040164 |
| Lokaler Name | Acetoacetamid |
Chemische & physikalische Eigenschaften
| XLogP | -1 |
|---|---|
| Polarare Oberfläche (TPSA) | 60,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 97,9 |
| Lipide | Fatty Acyls [FA] -> Fatty amides [FA08] -> Primary amides [FA0801] |
| Pestizide | Environmental transformation -> Pesticide transformation products (metabolite, successor) |
| Schmelzpunkt | 53-56 °C(lit.) |
| Siedepunkt | 271.0±23.0 °C(Predicted) |
| Dichte | 1.093±0.06 g/cm3(Predicted) |
| Dampfdruck | 0.93Pa at 20℃ |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | water: soluble1g/10 mL, clear, colorless1000g/L at 20℃ |
| pKa (Säurekonstante) | 12.38±0.46(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | white to yellowish |
| BRN | 1560550 |
| InChI | 1S/C4H7NO2/c1-3(6)2-4(5)7/h2H2,1H3,(H2,5,7) |
| InChIKey | GCPWJFKTWGFEHH-UHFFFAOYSA-N |
| SMILES | CC(=O)CC(N)=O |
| LogP (Verteilungskoeffizient) | -1.4 at 23℃ |
| CAS Datenbank | 5977-14-0(CAS DataBase Reference) |
| EPA chemische Informationen | Butanamide, 3-oxo- (5977-14-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (169 of 169) of all reports.Not ClassifiedAggregated GHS information provided per 169 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Butanamide, 3-oxo-Status: Active Update: 08-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/25282 |
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| RTECS-Nr. | EJ3667188 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Acetoacetamide is used as intermediate for different organic syntheses, mainly organic dyestuffs. Product Data Sheet