HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Chlor-N-methyl-3-oxobutyramid
1-Chloroacetoacetomethylamine · 2-chloro-n-ethyl-acetoacetamid · A-ChloroAcetoN-Methylacetamide · N-Methyl-2-chloroacetoacetamide · 2-Chloro-N-methylacetoacetamide · α-chloro aceto N-methylacetamide · N-Methyl-2-chloro-3-oxobutanamide · 2-chloro-N-methyl-3-oxobutyramide
Identifikatoren & physikalische Daten
| CAS No. | 4116-10-3 |
|---|---|
| Summenformel | C5H8ClNO2 |
| Durchschnittliche Molmasse | 149,57 g/mol |
| Monoisotopische Masse | 149,02435618 g/mol |
| SMILES | CNC(=O)C(Cl)C(C)=O |
| InChIKey | XIWMZCRVSYHMER-UHFFFAOYSA-N |
| PubChem CID | 20065 |
| EC No. | 223-907-5 |
| DTXSID | DTXSID70884036 |
| Lokaler Name | 2-Chlor-N-methyl-3-oxobutyramid |
Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 135 |
| Schmelzpunkt | 78-80 °C |
| Siedepunkt | 284.1±30.0 °C(Predicted) |
| Dichte | 1.2253 (rough estimate) |
| Brechungsindex | 1.5500 (estimate) |
| pKa (Säurekonstante) | 10.01±0.46(Predicted) |
| EPA chemische Informationen | 2-Chloro-N-methyl-3-oxobutanamide (4116-10-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Butanamide, 2-chloro-N-methyl-3-oxo- |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 2923 |
| RTECS-Nr. | AK3910000 |
| R-Sätze (R) | 22-24-37/38-41-43 |
| Toxizität | mouse,LD50,oral,750mg/kg (750mg/kg),LUNGS, THORAX, OR RESPIRATION: DYSPNEABEHAVIORAL: ANTIPSYCHOTIC,Archiv fuer Toxikologie. Vol. 18, Pg. 316, 1960. |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 26-28-36/37/39-45 |
| Gefahrenklasse | 8 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
2-Chloro-N-methyl-3-oxo-butanamide is used in the preparation of piperidinylmethyl (thiazolyl)phenylcarbamates which are useful as M3 muscarinic acetylcholine receptor antagonists for the treatment of chronic obstructive lung diseases, chronic bronchitis, asthma, and other disease.