HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-tert-Butylaniline
2-tert-Butylbenzenamine · AKOS BBS-00003572 · 2-TERT-BUTYLANILINE · Aniline, 2-tert-butyl- · 2-tert-Butylaniline 98% · 2-TERT-BUTYLPHENYLAMINE · 2-tert-Butylaniline,99% · 2-tert-Butylaniline, 98%,
Identifikatoren & physikalische Daten
| CAS No. | 6310-21-0 |
|---|---|
| Summenformel | C10H15N |
| Durchschnittliche Molmasse | 149,23 g/mol |
| Monoisotopische Masse | 149,12044948 g/mol |
| SMILES | CC(C)(C)c1ccccc1N |
| InChIKey | AEIOZWYBDBVCGW-UHFFFAOYSA-N |
| PubChem CID | 80574 |
| EC No. | 228-634-5 |
| DTXSID | DTXSID50212439 |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 123 |
| Stoffklassen | Nitrogen Compounds -> Amines, Aromatic |
| SpringerMaterials Properties | Optical coefficient |
| Physical Description | Brown liquid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | -60 °C (lit.) |
| Siedepunkt | 123-124 °C/17 mmHg (lit.) |
| Dichte | 0.957 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.545(lit.) |
| Flammpunkt | 216 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 3.78±0.10(Predicted) |
| Farbe | Clear pale yellow to red-brown |
| InChI | InChI=1S/C10H15N/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7H,11H2,1-3H3 |
| InChIKey | AEIOZWYBDBVCGW-UHFFFAOYSA-N |
| SMILES | C1(N)=CC=CC=C1C(C)(C)C |
| CAS Datenbank | 6310-21-0(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenamine, 2-(1,1-dimethylethyl)-(6310-21-0) |
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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | A skin and strong eye irritantMay induce methemoglobinemia[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Unerwünschte Wirkungen | Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29214990 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-37/39-36/37/39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2-tert-Butylaniline may be used in the preparation of 2,3-bis(2-tert-butyl-phenyl-imino)butane. It may be used in the preparation of two rotamers, anti- and syn-N,N′-bis-(2-tert-butylphenyl)naphthalene-1,4,5,8-tetracarboxylic diimides and their guest inclusion abilities were investigated.