HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-Methyl-o-toluidin (1)
N,2-DIMETHYLANILINE · NSC 9395 · N-Methyl-o-t · 2,N-Dimethylaniline · N-Methyl-o-touidine · N,6-Dimethylaniline · N,o-Dimethylaniline · o,N-Dimethylaniline
Identifikatoren & physikalische Daten
| CAS No. | 611-21-2 |
|---|---|
| Summenformel | C8H11N |
| Durchschnittliche Molmasse | 121,18 g/mol |
| Monoisotopische Masse | 121,08914935 g/mol |
| SMILES | CNc1ccccc1C |
| InChIKey | GUAWMXYQZKVRCW-UHFFFAOYSA-N |
| PubChem CID | 69137 |
| EC No. | 210-260-9 |
| DTXSID | DTXSID4060600 |
| Lokaler Name | N-Methyl-o-toluidin (1) |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 12 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 80,6 |
| SpringerMaterials Properties | Optical coefficient |
| LogP (Verteilungskoeffizient) | 2.16 |
| Schmelzpunkt | -10.08°C (estimate) |
| Siedepunkt | 207 °C |
| Dichte | 0.97 |
| Brechungsindex | 1.562-1.565 |
| Flammpunkt | 79.4 °C |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Practically insoluble in water |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 4.72±0.10(Predicted) |
| Farbe | White to Yellow to Green |
| InChI | InChI=1S/C8H11N/c1-7-5-3-4-6-8(7)9-2/h3-6,9H,1-2H3 |
| InChIKey | GUAWMXYQZKVRCW-UHFFFAOYSA-N |
| SMILES | C1(NC)=CC=CC=C1C |
| CAS Datenbank | 611-21-2(CAS DataBase Reference) |
| EPA chemische Informationen | Benzenamine, N,2-dimethyl- (611-21-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301: Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (100%)Acute toxicity - category 3Acute Tox. 3 * |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 1711 |
| Zollcode | 2921490090 |
| R-Sätze (R) | 52/53-33-23/24/25 |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 61-45-36/37-28A-28 |
| Gefahrenklasse | 6.1(a)Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Chronic 3STOT RE 2 |
| Verpackungsgruppe | II |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
Reactant for:Palladium-catalyzed coupling reactionsPalladium-catalyzed amination of bromoindazoles