HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2,2,2'-Trimethylpropionanilide
N-(o-Tolyl)pivalamide · N-PIVALOYL-O-TOLUIDINE · N-Pivaloyl-o-toluidine,99% · 2,2,2'-Trimethylpropionailide · N-Pivaloyl-O-toluidine, GC 98% · 2,2,2'-Trimethylpropionanilide · N-Pivaloyl-o-toluidine, 99% 5GR · 2,2,2'-Trimethylpropionanilide ,99%
Identifikatoren & physikalische Daten
| CAS No. | 61495-04-3 |
|---|---|
| Summenformel | C12H17NO |
| Durchschnittliche Molmasse | 191,27 g/mol |
| Monoisotopische Masse | 191,13101416 g/mol |
| SMILES | Cc1ccccc1NC(=O)C(C)(C)C |
| InChIKey | CSGRQLUGMVFNON-UHFFFAOYSA-N |
| PubChem CID | 2734005 |
| EC No. | 626-516-1 |
| DTXSID | DTXSID20370075 |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 205 |
| Schmelzpunkt | 111-115 °C |
| Siedepunkt | 327.03°C (rough estimate) |
| Dichte | 1.0096 (rough estimate) |
| Brechungsindex | 1.5220 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 15.13±0.70(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | White |
| InChI | InChI=1S/C12H17NO/c1-9-7-5-6-8-10(9)13-11(14)12(2,3)4/h5-8H,1-4H3,(H,13,14) |
| InChIKey | CSGRQLUGMVFNON-UHFFFAOYSA-N |
| SMILES | C(NC1=CC=CC=C1C)(=O)C(C)(C)C |
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 39 reports by companies from 2 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 | 29214200 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2,2,2′-Trimethylpropionanilide (2,2,2-N-pivaloyl-o-toluidine) may be used to determine the concentration of lithium diisopropylamide mono(tetrahydrofuran) via titration. It may be used to determine the concentrations of alkyllithiums by titration, to the colorimetric endpoint, indicated by the persistence of a yellow color in the solution.