HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 4139999Erstellt: 27. Oktober 2026
Tert-butyl 3-(methanesulfonyloxy)pyrrolidine-1-carboxylate
1-(tert-Butoxycarbonyl)pyrrolidin-3-yl methanesulfonate · 138883 · (R)-3-(Methylsulphonyloxy)pyrrolidine · 1-Boc-3-pyrrolidinyl Methanesulfonate · 1-Boc-3-methanesulfonyloxypyrrolidine · (3S)-N-Boc-3-[(methylsulphonyl)oxy]pyrrolidine · (R)-3-(Methylsulfonyloxy)pyrrolidine, N-BOC protected · (R)-3-(Methylsulphonyloxy)pyrrolidine, N-BOC protected
https://huagongshe.com/de/chemical/4139999
Identifikatoren & physikalische Daten
| CAS No. | 141699-57-2 |
|---|
| Summenformel | C10H19NO5S |
|---|
| Durchschnittliche Molmasse | 265,33 g/mol |
|---|
| Monoisotopische Masse | 265,09839371 g/mol |
|---|
| SMILES | CC(C)(C)OC(=O)N1CCC(OS(C)(=O)=O)C1 |
|---|
| InChIKey | KWQRKOSMSFLBTJ-UHFFFAOYSA-N |
|---|
| PubChem CID | 4139999 |
|---|
| EC No. | 832-476-8 |
|---|
| DTXSID | DTXSID80399808 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
|---|
| Polarare Oberfläche (TPSA) | 81,3 |
|---|
| H-Brücken-Donoren | 0 |
|---|
| H-Brücken-Akzeptoren | 5 |
|---|
| Frei drehbare Bindungen | 4 |
|---|
| Schwere Atome | 17 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 378 |
|---|
| Siedepunkt | 392.9±31.0 °C(Predicted) |
|---|
| Dichte | 1.25±0.1 g/cm3(Predicted) |
|---|
| Lagerbedingungen | 2-8°C |
|---|
| Aggregatzustand | solid |
|---|
| pKa (Säurekonstante) | -3.65±0.40(Predicted) |
|---|
| InChI | 1S/C10H19NO5S/c1-10(2,3)15-9(12)11-6-5-8(7-11)16-17(4,13)14/h8H,5-7H2,1-4H3/t8-/m1/s1 |
|---|
| InChIKey | KWQRKOSMSFLBTJ-MRVPVSSYSA-N |
|---|
| SMILES | CC(C)(C)OC(=O)N1CC[C@H](C1)OS(C)(=O)=O |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
|---|
| Wassergefährdungsklasse (WGK) | 3 |
|---|
| Zollcode | 2933998090 |
|---|
| R-Sätze (R) | 25 |
|---|
| Gefahrensymbole | Xi,T |
|---|
| Sicherheitshinweise (S) | 45 |
|---|
| Gefahrenklasse | IRRITANTAcute Tox. 3 Oral |
|---|
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
|---|
