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4,4'-Azodianilin
4,4'-diaminoazobenzene · 4,4'-(Diazene-1,2-diyl)dianiline · p-azoaniline · 4,4’-azodi-anilin · 4,4'-AZODIANILINE · 4,4'-Azobisaniline · p-Diaminoazobenzene · 4,4'-Azodianiline,95%
Identifikatoren & physikalische Daten
| CAS No. | 538-41-0 |
|---|---|
| Summenformel | C12H12N4 |
| Durchschnittliche Molmasse | 212,25 g/mol |
| Monoisotopische Masse | 212,1061964 g/mol |
| SMILES | Nc1ccc(N=Nc2ccc(N)cc2)cc1 |
| InChIKey | KQIKKETXZQDHGE-UHFFFAOYSA-N |
| PubChem CID | 10855 |
| ChEMBL | CHEMBL1337483 |
| ChEBI | CHEBI:53616 |
| EC No. | 106-392-0 |
| DTXSID | DTXSID50859469 |
| Lokaler Name | 4,4'-Azodianilin |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 76,8 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 201 |
| Schmelzpunkt | 245 °C |
| Siedepunkt | 342.09°C (rough estimate) |
| Dichte | 1.2046 (rough estimate) |
| Brechungsindex | 1.5000 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Ethyl Acetate (Slightly)Very soluble in ethanol. Insoluble in water. |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 3.70±0.10(Predicted) |
| Farbe | Brown |
| Merck | 14,2977 |
| BRN | 745553 |
| Stabilität | Light Sensitive |
| InChI | InChI=1S/C12H12N4/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H,13-14H2 |
| InChIKey | KQIKKETXZQDHGE-UHFFFAOYSA-N |
| SMILES | N(C1=CC=C(N)C=C1)=NC1=CC=C(N)C=C1 |
| EPA chemische Informationen | Benzenamine, 4,4'-azobis- (538-41-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Eye Irrit. 2 (100%) |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 2811 |
| Zollcode | 29270000 |
| RTECS-Nr. | BW7450000 |
| R-Sätze (R) | 40-25 |
| Toxizität | LD50 intravenous in mouse: 180mg/kg |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 45-28A |
| Gefahrenklasse | 6.1 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
4,4’Azodianiline is used in cross-linking studies of epoxy resins and the synthesis of surface relief holographic materials.