HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(3aS)-1-methyl-3,3-diphenyl-hexahydropyrrolo(1,2-c)(1,3,2)oxazaborole
(S)-2-METHYL-CBS-OXAZABOROLIDINE · (S)-1-methyl-3,3-diphenyltetrahydro-1H,3H-pyrrolo[1,2-c][1,3,2]oxazaborole · (3aS)-Tetrahydro-1-methyl-3,3-diphenyl-1H,3H-pyrrolo[1,2-c][1,3,2]oxazaborole · (S)-5,5-DIPHENYL-2-METHYL-3,4-PROPANO-1,3,2-OXAZABOROLIDINE · (S)-1-METHYL-3,3-DIPHENYLHEXAHYDROPYRROLO[1,2-C][1,3,2]OXAZABOROLE · (S)-ME CBS · (S)-Me-CBS Catalyst · (S)-(-)-2-METHYL-CBS-OXAZABOROLIDINE
Identifikatoren & physikalische Daten
| CAS No. | 112022-81-8 |
|---|---|
| Summenformel | C18H20BNO |
| Durchschnittliche Molmasse | 277,2 g/mol |
| Monoisotopische Masse | 277,16379466 g/mol |
| SMILES | CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12 |
| InChIKey | VMKAFJQFKBASMU-KRWDZBQOSA-N |
| PubChem CID | 2734713 |
| EC No. | 601-150-5 |
| DTXSID | DTXSID60370458 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 12,5 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 21 |
| Formalladung | 0 |
| Komplexität | 344 |
| Schmelzpunkt | 115-117°C |
| Siedepunkt | 111 °C |
| Dichte | 0.93 g/mL at 20 °C(lit.) |
| Brechungsindex | -68 ° (C=1, MeOH) |
| Flammpunkt | 40 °F |
| Lagerbedingungen | room temp |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 1.02±0.40(Predicted) |
| Farbe | Colorless to amber |
| Löslichkeit | Hydrolyzes in water. |
| BRN | 8492123 |
| InChI | 1S/C18H20BNO/c1-19-20-14-8-13-17(20)18(21-19,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17H,8,13-14H2,1H3/t17-/m0/s1 |
| InChIKey | VMKAFJQFKBASMU-KRWDZBQOSA-N |
| SMILES | CB1OC(C2CCCN12)(c3ccccc3)c4ccccc4 |
| CAS Datenbank | 112022-81-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (71.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 150 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (71.3%) |
| F | 10-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1294 3/PG 2 |
| Zollcode | 29349990 |
| R-Sätze (R) | 36/37/38-67-65-63-48/20-11-19-40 |
| Gefahrensymbole | Xi,Xn,F |
| Sicherheitshinweise (S) | 26-62-36/37-33-29-16 |
| Gefahrenklasse | 3Acute Tox. 4 OralEye Dam. 1 |
| Verpackungsgruppe | II |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
suzuki reaction