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2-Isopropylanilin
O-CUMIDINE · AKOS 91140 · O-AMINOCUMENE · 2-AMINOCUMENE · ORTHO CUMIDINE · AKOS BBS-00003573 · O-ISOPROPYLANILINE · o-isopropyl-anilin
Identifikatoren & physikalische Daten
| CAS No. | 643-28-7 |
|---|---|
| Summenformel | C9H13N |
| Durchschnittliche Molmasse | 135,21 g/mol |
| Monoisotopische Masse | 135,10479942 g/mol |
| SMILES | CC(C)c1ccccc1N |
| InChIKey | YKOLZVXSPGIIBJ-UHFFFAOYSA-N |
| PubChem CID | 12561 |
| ChEMBL | CHEMBL3560385 |
| ChEBI | CHEBI:183339 |
| EC No. | 211-397-7 |
| DTXSID | DTXSID6052328 |
| Lokaler Name | 2-Isopropylanilin |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 98,9 |
| LogP (Verteilungskoeffizient) | 2.12 |
| Schmelzpunkt | -6.87°C (estimate) |
| Siedepunkt | 112-113 °C/18 mmHg (lit.) |
| Dichte | 0.955 g/mL at 25 °C (lit.) |
| Dampfdruck | 0.05 mm Hg ( 20 °C) |
| Brechungsindex | n20/D 1.548(lit.) |
| Flammpunkt | 204 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 4.42±0.10(Predicted) |
| Farbe | Clear pale yellow to orange or brown |
| Wichte | 0.966 |
| Löslichkeit | Insoluble in water. |
| BRN | 636283 |
| InChI | 1S/C9H13N/c1-7(2)8-5-3-4-6-9(8)10/h3-7H,10H2,1-2H3 |
| InChIKey | YKOLZVXSPGIIBJ-UHFFFAOYSA-N |
| SMILES | CC(C)c1ccccc1N |
| CAS Datenbank | 643-28-7(CAS DataBase Reference) |
| EPA chemische Informationen | o-Isopropylaniline (643-28-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 95 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenamine, 2-(1-methylethyl)- |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29214990 |
| RTECS-Nr. | BY4200000 |
| R-Sätze (R) | 22-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2-Isopropylaniline is used in the synthesis of a colorless amine-coordinated zinc complex. The reactions of 1,1-bis(hydroxymethyl)ferrocene with 2-isopropylaniline, in the presence of a catalyst [RuCl2(PPh3)3], was studied