HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1,3-Di-Boc-2-(trifluoromethylsulfonyl)guanidine
Goodman's Reagent · 1,3-Di-Boc-2-(trifluoromethanesulfonyl)guanidine · 1,3-DI-BOC-2-(TRIFLUOROMETHYLSULFONYL)- · N N'-BIS(TERT-BUTOXYCARBONYL)-N -TRIFLY& · 1,3-DI-BOC-2-(TRIFLUOROMETHYLSULFONYL)GUANIDIN · 1,3-DI-BOC-2-(TRIFLUOROMETHYLSULFONYL)GUANIDINE · n,n'-bis(tert-butoxycarboyl)-n''-trifylguanidine · N,N'-BIS(TERT-BUTOXYCARBONYL)-N''-TRIFLYLGUANIDINE
Identifikatoren & physikalische Daten
| CAS No. | 207857-15-6 |
|---|---|
| Summenformel | C12H20F3N3O6S |
| Durchschnittliche Molmasse | 391,37 g/mol |
| Monoisotopische Masse | 391,10249102 g/mol |
| SMILES | CC(C)(C)OC(=O)NC(=NS(=O)(=O)C(F)(F)F)NC(=O)OC(C)(C)C |
| InChIKey | GOQZIPJCBUYLIR-UHFFFAOYSA-N |
| PubChem CID | 3694570 |
| EC No. | 627-920-0 |
| DTXSID | DTXSID30395153 |
Chemische & physikalische Eigenschaften
| XLogP | 3,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 132 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 10 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 25 |
| Formalladung | 0 |
| Komplexität | 607 |
| Schmelzpunkt | 113 °C (dec.)(lit.) |
| Dichte | 1.36 |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Acetonitrile, Chloroform (Slightly), DMSO (Sparingly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | -4.76±0.40(Predicted) |
| Farbe | White to Off-White |
| BRN | 7947176 |
| Hauptanwendungen | peptide synthesis |
| InChI | InChI=1S/C12H20F3N3O6S/c1-10(2,3)23-8(19)16-7(17-9(20)24-11(4,5)6)18-25(21,22)12(13,14)15/h1-6H3,(H2,16,17,18,19,20) |
| InChIKey | GOQZIPJCBUYLIR-UHFFFAOYSA-N |
| SMILES | C(/NC(=O)OC(C)(C)C)(=N\C(=O)OC(C)(C)C)\NS(=O)(=O)C(F)(F)F |
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%) |
| F | 10-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29350090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
1,3-Di-Boc-2-(trifluoromethylsulfonyl)guanidine is a guanidinylation reagent for amines and peptides.