HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 643471Erstellt: 27. Oktober 2026
Benzyl 3-pyrroline-1-carboxylate
benzyl 2,5-dihydro-1H-pyrrole-1-carboxylate · N-Cbz-pyrroline · N-Cbz-3-pyrroline · N-Cbz-2,5-dihydropyrrole · 2,5-Dihydropyrrole-1-Cbz · N-Carbobenzoxy-3-pyrroline · N-Cbz 2,5-dihydro-1H-pyrrole · 1-Cbz-2,5-dihydro-1H-pyrrole
https://huagongshe.com/de/chemical/643471
Identifikatoren & physikalische Daten
| CAS No. | 31970-04-4 |
|---|
| Summenformel | C12H13NO2 |
|---|
| Durchschnittliche Molmasse | 203,24 g/mol |
|---|
| Monoisotopische Masse | 203,09462866 g/mol |
|---|
| SMILES | O=C(OCc1ccccc1)N1CC=CC1 |
|---|
| InChIKey | XSKKIFJNZPNVGO-UHFFFAOYSA-N |
|---|
| PubChem CID | 643471 |
|---|
| EC No. | 608-686-9 |
|---|
| DTXSID | DTXSID60349189 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|
| Polarare Oberfläche (TPSA) | 29,5 |
|---|
| H-Brücken-Donoren | 0 |
|---|
| H-Brücken-Akzeptoren | 2 |
|---|
| Frei drehbare Bindungen | 3 |
|---|
| Schwere Atome | 15 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 236 |
|---|
| Siedepunkt | 133-137 °C0.6 mm Hg(lit.) |
|---|
| Dichte | 1.132 g/mL at 25 °C(lit.) |
|---|
| Brechungsindex | n20/D 1.544(lit.) |
|---|
| Flammpunkt | >230 °F |
|---|
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
|---|
| pKa (Säurekonstante) | -1.51±0.20(Predicted) |
|---|
| Aggregatzustand | Liquid |
|---|
| Farbe | Colorless to pale yellow |
|---|
| InChI | InChI=1S/C12H13NO2/c14-12(13-8-4-5-9-13)15-10-11-6-2-1-3-7-11/h1-7H,8-10H2 |
|---|
| InChIKey | XSKKIFJNZPNVGO-UHFFFAOYSA-N |
|---|
| SMILES | N1(C(OCC2=CC=CC=C2)=O)CC=CC1 |
|---|
| CAS Datenbank | 31970-04-4 |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
|---|
| Wassergefährdungsklasse (WGK) | 3 |
|---|
| Zollcode | 29339900 |
|---|
| R-Sätze (R) | 36/37/38 |
|---|
| Gefahrensymbole | Xi |
|---|
| Sicherheitshinweise (S) | 26-36 |
|---|
