HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Pyrrolidin-1-carbonylchlorid
pyrrolidine-1-carbonyl chloride · SKL1206 · Pyrrolidinecarbonyl chloride · 1-PYRROLIDINECARBONYL CHLORIDE · 1-Pyrrolidinecarbonyl chloride,99% · 1-Pyrrolidinecarbonyl chloride 97% · (pyrrolidin-1-yl)carbonylchloranuide · 1-Pyrrolidinecarboxylic acid chloride
Identifikatoren & physikalische Daten
| CAS No. | 1192-63-8 |
|---|---|
| Summenformel | C5H8ClNO |
| Durchschnittliche Molmasse | 133,57 g/mol |
| Monoisotopische Masse | 133,02944156 g/mol |
| SMILES | O=C(Cl)N1CCCC1 |
| InChIKey | XACWJIQLDLUFSR-UHFFFAOYSA-N |
| PubChem CID | 70937 |
| EC No. | 214-758-7 |
| DTXSID | DTXSID9061596 |
| Lokaler Name | Pyrrolidin-1-carbonylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 98,6 |
| Siedepunkt | 104-106 °C/14 mmHg (lit.) |
| Dichte | 1.209 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.493(lit.) |
| Flammpunkt | 208 °F |
| Lagerbedingungen | -20°C |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | -1.85±0.20(Predicted) |
| Farbe | Clear colorless to light yellow |
| Löslichkeit | It reacts with water. |
| BRN | 110281 |
| InChI | 1S/C5H8ClNO/c6-5(8)7-3-1-2-4-7/h1-4H2 |
| InChIKey | XACWJIQLDLUFSR-UHFFFAOYSA-N |
| SMILES | ClC(=O)N1CCCC1 |
| CAS Datenbank | 1192-63-8(CAS DataBase Reference) |
| EPA chemische Informationen | 1-Pyrrolidinecarbonyl chloride (1192-63-8) |
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 44 reports by companies from 3 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 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3265 |
| Zollcode | 29339980 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-27-36/37/39-45 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
1-Pyrrolidinecarbonyl chloride was used in the synthesis of (S)-4-(2-(((benzyloxy)carbonyl)amino)-3-methoxy-3-oxopropyl)phenyl pyrrolidine-1-carboxylate.