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N,N-Diisopropylaniline
N,N-DIISOPROPYLANILI · N,N-Diisopropylaniline · N,N-diisopropy aniline · diisopropyl(phenyl)amine · N,N-Diisopropylbenzenamine · N,N-Diisopropylaniline 97% · N,N-di(propan-2-yl)aniline · Benzenamine, N,N-bis(1-methylethyl)-
Identifikatoren & physikalische Daten
| CAS No. | 4107-98-6 |
|---|---|
| Summenformel | C12H19N |
| Durchschnittliche Molmasse | 177,29 g/mol |
| Monoisotopische Masse | 177,15174961 g/mol |
| SMILES | CC(C)N(c1ccccc1)C(C)C |
| InChIKey | OVSARSKQWCLSJT-UHFFFAOYSA-N |
| PubChem CID | 61329 |
| ChEMBL | CHEMBL3185705 |
| EC No. | 625-530-5 |
| DTXSID | DTXSID8042189 |
Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 3,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 126 |
| SpringerMaterials Properties | Optical coefficient |
| Schmelzpunkt | -45°C (estimate) |
| Siedepunkt | 95-96 °C11 mm Hg(lit.) |
| Dichte | 0.91 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.519(lit.) |
| Flammpunkt | 183 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 8.05±0.20(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | Colorless to pale yellow |
| CAS Datenbank | 4107-98-6(CAS DataBase Reference) |
| EPA chemische Informationen | N,N-Diisopropylaniline (4107-98-6) |
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 40 reports by companies from 3 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 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
Anwendungen & Verwendung
Verwenden
N,N-Diisopropylaniline was used for the synthesis of 4-diisopropylamino benzonitrile.It may be used for the synthesis of 6-(4-bromophenyl)-3-methoxy-5-methyl-8-oxabicyclo[3.2.1]octa-3,6-dien-2-one.