HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(Thiomorpholinium-4-ylmethyl)trifluoroborate
(Thiomorpholinium-4-ylmethyl)trifluoroborate
Identifikatoren & physikalische Daten
| CAS No. | 1268340-95-9 |
|---|---|
| Summenformel | C5H11BF3NS |
| Durchschnittliche Molmasse | 185,02 g/mol |
| Monoisotopische Masse | 185,0657352 g/mol |
| SMILES | F[B-](F)(F)C[NH+]1CCSCC1 |
| InChIKey | VUNVVPNMYVRSKZ-UHFFFAOYSA-O |
| PubChem CID | 53243772 |
| DTXSID | DTXSID60692884 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 29,7 |
|---|---|
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 123 |
| Schmelzpunkt | 146-156°C |
| Aggregatzustand | solid |
| InChI | 1S/C5H10BF3NS/c7-6(8,9)5-10-1-3-11-4-2-10/h1-5H2/q-1/p+1 |
| InChIKey | VUNVVPNMYVRSKZ-UHFFFAOYSA-O |
| SMILES | F[B-](F)(F)C[NH+]1CCSCC1 |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| Lagerklasse | 13 - Non Combustible Solids |
Anwendungen & Verwendung
Verwenden
Organotrifluoroborate involved in Suzuki-Miyaura cross-coupling reactions and cross coupling with mesylated phenol derivativesOrganotrifluoroborates as versatile and stable boronic acid surrogates