HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-(tert-Butoxycarbonyl)-1,2-phenylenediamine
tert-Butyl (2-aminophenyl)carbamate · N-BOC-1,2-phenylenediamine · TIMTEC-BB SBB000475 · 2-(Boc-amino)aniline · N-Boc-1,2-phenyldiamine · N-BOC-1,2-DIAMINOBENZENE · N-B0C-1,2-PHENYLENEDIAMINE · 2-(tert-Butoxycarbonylamino)aniline
Identifikatoren & physikalische Daten
| CAS No. | 146651-75-4 |
|---|---|
| Summenformel | C11H16N2O2 |
| Durchschnittliche Molmasse | 208,26 g/mol |
| Monoisotopische Masse | 208,12117775 g/mol |
| SMILES | CC(C)(C)OC(=O)Nc1ccccc1N |
| InChIKey | KCZFBLNQOSFGSH-UHFFFAOYSA-N |
| PubChem CID | 676311 |
| EC No. | 625-192-9 |
| DTXSID | DTXSID60350275 |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 64,4 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 223 |
| Schmelzpunkt | 109-114 °C |
| Siedepunkt | 280.6±23.0 °C(Predicted) |
| Dichte | 1.152±0.06 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 13.47±0.70(Predicted) |
| Farbe | Light Yellow |
| InChI | InChI=1S/C11H16N2O2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12/h4-7H,12H2,1-3H3,(H,13,14) |
| InChIKey | KCZFBLNQOSFGSH-UHFFFAOYSA-N |
| SMILES | C(OC(C)(C)C)(=O)NC1=CC=CC=C1N |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2921490090 |
| R-Sätze (R) | 22-43 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 36/37 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralSkin Sens. 1 |
Anwendungen & Verwendung
Verwenden
Protected 1,2-Phenyldiamine, an intermediate in the synthesis of histone deacetylase agents and antitumor agents.