HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Chlor-N-ethylacetamid
TIMTEC-BB SBB008200 · N-ETHYLCHLOROACETAMIDE · N-ETHYL-2-CHLOROACETAMIDE · 2-Chloro-N-ethylacetamide · 2-chloro-N-ethyl-ethanamide · (N-CHLOROACETYL)ETHYL AMINE · Acetamide, 2-chloro-N-ethyl- · .alpha.-Chloro-N-ethylacetamide
Identifikatoren & physikalische Daten
| CAS No. | 105-35-1 |
|---|---|
| Summenformel | C4H8ClNO |
| Durchschnittliche Molmasse | 121,56 g/mol |
| Monoisotopische Masse | 121,0294416 g/mol |
| SMILES | CCNC(=O)CCl |
| InChIKey | JUBORNFANZZVJL-UHFFFAOYSA-N |
| PubChem CID | 66044 |
| EC No. | 203-289-3 |
| DTXSID | DTXSID30146905 |
| Lokaler Name | 2-Chlor-N-ethylacetamid |
Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 64,7 |
| Schmelzpunkt | 129 °C(Solv: benzene (71-43-2)) |
| Siedepunkt | 96 °C(Press: 13 Torr) |
| Dichte | 1.086±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 14.39±0.46(Predicted) |
| InChI | InChI=1S/C4H8ClNO/c1-2-6-4(7)3-5/h2-3H2,1H3,(H,6,7) |
| InChIKey | JUBORNFANZZVJL-UHFFFAOYSA-N |
| SMILES | C(NCC)(=O)CCl |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (50%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| UN-Transportnummer | UN 2811 6.1 / PGIII |
| Zollcode | 2924297099 |
| R-Sätze (R) | 36/37/38-25 |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Gefahrenklasse | Acute Tox. 3 Oral |
Anwendungen & Verwendung
Verwenden
2-Chloro-N-ethylacetamide is an amide compound. It can be used to synthesise other organic heterocyclic compounds such as 2-(diphenylphosphoryl)-N-ethylacetamide and N-ethylcarbamoylmethyl 2-[3-(trifluoromethyl)anilino]nicotinic ester.