HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Diethylthiocarbamoylchlorid
NSC 379476 · dlethylthiocarbamyl chloride · Diethylcarbamothioic chloride · DIETHYLTHIOCARBAMOYL CHLORIDE · Diethyl thiocarbamyl chloride · Diethylcarbamothioyl chloride · DiethylthiocarbaMoyl chloride 95% · N,N-DIETHYLCARBAMOTHIOIC CHLORIDE
Identifikatoren & physikalische Daten
| CAS No. | 88-11-9 |
|---|---|
| Summenformel | C5H10ClNS |
| Durchschnittliche Molmasse | 151,66 g/mol |
| Monoisotopische Masse | 151,022248 g/mol |
| SMILES | CCN(CC)C(=S)Cl |
| InChIKey | HUUSTUALCPTCGJ-UHFFFAOYSA-N |
| PubChem CID | 66607 |
| EC No. | 201-799-0 |
| DTXSID | DTXSID0075364 |
| Lokaler Name | Diethylthiocarbamoylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 80,5 |
| Schmelzpunkt | 45-50 °C (lit.) |
| Siedepunkt | 113 °C/10 mmHg (lit.) |
| Dichte | 1.119 (estimate) |
| Brechungsindex | 1.6100 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Refrigerator, Under Inert Atmosphere |
| Löslichkeit | soluble in Dichloromethane, Ethyl Acetate |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 0.30±0.50(Predicted) |
| Stabilität | Hygroscopic, Water Sensitive |
| InChI | 1S/C5H10ClNS/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3 |
| InChIKey | HUUSTUALCPTCGJ-UHFFFAOYSA-N |
| SMILES | CCN(CC)C(Cl)=S |
| CAS Datenbank | 88-11-9(CAS DataBase Reference) |
| EPA chemische Informationen | Carbamothioic chloride, diethyl- (88-11-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29302000 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 22-26-27-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
Diethylthiocarbamoyl chloride is a useful synthetic intermediate