HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4,4''-Diaminoterphenyl
[1,1':4',1''-terphenyl]-4,4''-diaMine · 4,4’’-diaminoterphenyl · 4,4'-DIAMINO-P-TERPHENYL · AKOS AUF02006 · p-Terphenylenediamine · 4,4 '- Diaminotriphenyl · 4,4''-Diamino-p-terphenyl · p-Terphenyl, 4,4''-diamine
Identifikatoren & physikalische Daten
| CAS No. | 3365-85-3 |
|---|---|
| Summenformel | C18H16N2 |
| Durchschnittliche Molmasse | 260,3 g/mol |
| Monoisotopische Masse | 260,13134851 g/mol |
| SMILES | Nc1ccc(-c2ccc(-c3ccc(N)cc3)cc2)cc1 |
| InChIKey | QBSMHWVGUPQNJJ-UHFFFAOYSA-N |
| PubChem CID | 104949 |
| EC No. | 677-188-1 |
| DTXSID | DTXSID40187329 |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 52 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 20 |
| Formalladung | 0 |
| Komplexität | 250 |
| SpringerMaterials Properties | Clearing parameter |
| Schmelzpunkt | 242-244°C |
| Siedepunkt | 484.2±25.0 °C(Predicted) |
| Dichte | 1.159±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | soluble in Tetrahydrofuran,Acetone |
| pKa (Säurekonstante) | 4.59±0.10(Predicted) |
| BRN | 2120295 |
| InChI | InChI=1S/C18H16N2/c19-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(20)12-8-16/h1-12H,19-20H2 |
| InChIKey | QBSMHWVGUPQNJJ-UHFFFAOYSA-N |
| SMILES | C1(C2=CC=C(C3=CC=C(N)C=C3)C=C2)=CC=C(N)C=C1 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (83.3%) |
| UN-Transportnummer | 2811 |
| Zollcode | 29215900 |
| R-Sätze (R) | 20/21/22-45 |
| Sicherheitshinweise (S) | 45-53 |
| Verpackungsgruppe | II |
Anwendungen & Verwendung
Verwenden
4,4''-Diamino-p-terphenyl can be used to make selective hydrogen sensors that have high sensitivity, low consumption, and no cross-sensitivity to methane and ethane even at their operating temperatures and higher. Moreover, it is also used for studies of Symmetry breakdown of 4,4″-diamino-p-terphenyl on a Cu(111) surface by lattice mismatch[1-2].