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N,N-Diethyl-3-oxobutyramid
DEAA · Diethylacetoacetamide · N,N-DIETHYL-3-OXOBUTANAMIDE · Tetramid · AKOS BBS-00006457 · ACETOACETDIETHYLAMIDE · Resveratrol Impurity 32 · N,N-DIETHYLACETOACETAMIDE
Identifikatoren & physikalische Daten
| CAS No. | 2235-46-3 |
|---|---|
| Summenformel | C8H15NO2 |
| Durchschnittliche Molmasse | 157,21 g/mol |
| Monoisotopische Masse | 157,11027872 g/mol |
| SMILES | CCN(CC)C(=O)CC(C)=O |
| InChIKey | NTMXFHGYWJIAAE-UHFFFAOYSA-N |
| PubChem CID | 16699 |
| EC No. | 218-792-3 |
| DTXSID | DTXSID8052695 |
| Lokaler Name | N,N-Diethyl-3-oxobutyramid |
Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 150 |
| Stoffklassen | Nitrogen Compounds -> Other Nitrogen Compounds |
| SpringerMaterials Properties | Dielectric constant |
| Dichte | 0.995 @ 20 °C/20 °C0.994 g/mL at 20 °C (lit.) |
| Color/Form | LIQUID |
| Löslichkeit | SOLUBLE IN WATER10g/L at 26℃ |
| Flammpunkt | 121 °C250 °F.94 °C |
| Siedepunkt | DECOMPOSES76 °C(lit.) |
| Schmelzpunkt | FREEZING POINT: -70 °C-73 °C |
| Physical Description | Liquid[HSDB] Yellow or brown liquid[Alfa Aesar MSDS] |
| Dampfdruck | 1.387Pa at 25℃ |
| Brechungsindex | n20/D 1.471 |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| pKa (Säurekonstante) | 12.97±0.46(Predicted) |
| Aggregatzustand | clear liquid |
| Farbe | yellow |
| pH | 5-7 (10g/l, H2O, 20℃) |
| Explosionsgrenze | 1%(V) |
| BRN | 636486 |
| InChI | 1S/C8H15NO2/c1-4-9(5-2)8(11)6-7(3)10/h4-6H2,1-3H3 |
| InChIKey | NTMXFHGYWJIAAE-UHFFFAOYSA-N |
| SMILES | CCN(CC)C(=O)CC(C)=O |
| LogP (Verteilungskoeffizient) | 0.41 |
| CAS Datenbank | 2235-46-3(CAS DataBase Reference) |
| NIST chemische Informationen | Butanamide, N,N-diethyl-3-oxo-(2235-46-3) |
| EPA chemische Informationen | Butanamide, N,N-diethyl-3-oxo- (2235-46-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 99.6% (266 of 267) of all reports.Not ClassifiedAggregated GHS information provided per 267 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Butanamide, N,N-diethyl-3-oxo-Status: Active Update: 27-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5909Butanamide, N,N-diethyl-3-oxo-: Does not have an individual approval but may be used under an appropriate group standard |
| Brandpotenzial | SLIGHT, WHEN EXPOSED TO HEAT OR FLAME. |
| Gefahrenübersicht | Emergency treatment: Irritants[HSDB] A mild eye irritant[RTECS] May cause irritation[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Not Classified |
| Brandbekämpfungsverfahren | WATER, FOAM, ALCOHOL FOAM. |
| Non-Human Toxicity Excerpts | LIMITED ANIMAL EXPERIMENTS SUGGEST LOW TOXICITY. |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29241990 |
| RTECS-Nr. | AK4025000 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrstoffdaten | 2235-46-3(Hazardous Substances Data) |
Anwendungen & Verwendung
Verwenden
N,N-Diethylacetoacetamide is used as intermediate for the manufacture of insecticides, e.g. phosphamidon Product Data Sheet