HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-Phenyl-m-toluidin
MDA · (+/-)-MDA · N-PHENYL-M- · 3-Methyldianiline · 3-two Methylaniline · N-PHENYL-M-TOLUIDINE · Phenyl-m-tolyl-amine · 3-METHYLDIPHENYLAMINE
Identifikatoren & physikalische Daten
| CAS No. | 1205-64-7 |
|---|---|
| Summenformel | C13H13N |
| Durchschnittliche Molmasse | 183,25 g/mol |
| Monoisotopische Masse | 183,10479942 g/mol |
| SMILES | Cc1cccc(Nc2ccccc2)c1 |
| InChIKey | TWPMMLHBHPYSMT-UHFFFAOYSA-N |
| PubChem CID | 14569 |
| ChEMBL | CHEMBL1339734 |
| EC No. | 214-885-8 |
| DTXSID | DTXSID9044790 |
| Lokaler Name | N-Phenyl-m-toluidin |
Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 12 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 161 |
| Collision Cross Section | 143.2 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID9044790] |
| Schmelzpunkt | 30 °C |
| Siedepunkt | 315 °C/724 mmHg (lit.) |
| Dichte | 1.066 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.635(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 0.97±0.30(Predicted) |
| Farbe | Colorless to Yellow to Orange |
| InChI | InChI=1S/C13H13N/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-10,14H,1H3 |
| InChIKey | TWPMMLHBHPYSMT-UHFFFAOYSA-N |
| SMILES | C1(NC2=CC=CC=C2)=CC=CC(C)=C1 |
| CAS Datenbank | 1205-64-7(CAS DataBase Reference) |
| EPA chemische Informationen | N-Phenyl-3-methylaniline (1205-64-7) |
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 45 reports by companies from 5 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 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29214990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
3-methyldiphenylamine and its derivatives are widely used in the OLED devices as an organic semiconductor. Organic and polymer photovoltaics have the potential to become a flexible low-cost alternative to inorganic semiconductor-based photovoltaics[1].