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3,5-Di-tert-butylaniline
AKOS BC-0700 · 3,5-Di-t-butylaniline · 2,3-detert-butylaniline · 3,5-Di-tert-butylaniline · 3,5-Bis(tert-butyl)aniline · 3,5-Di-tert-butylaniline>3,5-Di-tert-butylaniline 98% · (3,5-ditert-butylphenyl)amine · 3,5-di-tert-butylaniline - [AC78205]
Identifikatoren & physikalische Daten
| CAS No. | 2380-36-1 |
|---|---|
| Summenformel | C14H23N |
| Durchschnittliche Molmasse | 205,34 g/mol |
| Monoisotopische Masse | 205,18304974 g/mol |
| SMILES | CC(C)(C)c1cc(N)cc(C(C)(C)C)c1 |
| InChIKey | MJKNHXCPGXUEDO-UHFFFAOYSA-N |
| PubChem CID | 75419 |
| EC No. | 219-173-0 |
| DTXSID | DTXSID80178493 |
Chemische & physikalische Eigenschaften
| XLogP | 4,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 184 |
| Schmelzpunkt | 54-57 °C (lit.) |
| Siedepunkt | 276.6±29.0 °C(Predicted) |
| Dichte | 0.912±0.06 g/cm3(Predicted) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Benzene,Alcohol |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 4.79±0.10(Predicted) |
| Farbe | White to Light yellow to Light orange |
| InChI | InChI=1S/C14H23N/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9H,15H2,1-6H3 |
| InChIKey | MJKNHXCPGXUEDO-UHFFFAOYSA-N |
| SMILES | C1(N)=CC(C(C)(C)C)=CC(C(C)(C)C)=C1 |
| CAS Datenbank | 2380-36-1(CAS DataBase Reference) |
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 44 reports by companies from 4 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 | 29214990 |
| 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
3,5-Di-tert-butylaniline is a useful reactant for the synthesis of Tetraphenylethylenepyrrolo[3,2-b]pyrrole, a fluorescent dye.