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N,N'-Diphenylbenzidin
Diphenylbenzidine · DFRR · N,N'-DiphenyL · DEPHENYLBENZIDINE · TIMTEC-BB SBB002946 · Benzidine, N,N'-diph · N'-Diphenylbenzidine · N,N-Diphenylbenzidne
Identifikatoren & physikalische Daten
| CAS No. | 531-91-9 |
|---|---|
| Summenformel | C24H20N2 |
| Durchschnittliche Molmasse | 336,4 g/mol |
| Monoisotopische Masse | 336,16264864 g/mol |
| SMILES | c1ccc(Nc2ccc(-c3ccc(Nc4ccccc4)cc3)cc2)cc1 |
| InChIKey | FDRNXKXKFNHNCA-UHFFFAOYSA-N |
| PubChem CID | 68280 |
| EC No. | 208-521-7 |
| DTXSID | DTXSID0060197 |
| Lokaler Name | N,N'-Diphenylbenzidin |
Chemische & physikalische Eigenschaften
| XLogP | 6,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 24,1 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 26 |
| Formalladung | 0 |
| Komplexität | 343 |
| Stoffklassen | Nitrogen Compounds -> Benzidine and Derivatives |
| Physical Description | Solid[Merck Index] Grey odorless powder[Alfa Aesar MSDS] |
| Schmelzpunkt | 246-248 °C(lit.) |
| Siedepunkt | 462.9°C (rough estimate) |
| Dichte | 1.1750 (rough estimate) |
| Dampfdichte | 11.6 (vs air) |
| Brechungsindex | 1.7620 (estimate) |
| Flammpunkt | >110°C |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | Acetone (Slightly), DMF (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly, Sonicated)Insoluble in water. |
| Aggregatzustand | Fine Crystalline Powder |
| pKa (Säurekonstante) | 1.31±0.40(Predicted) |
| Farbe | Gray to brownish |
| Merck | 14,3319 |
| BRN | 2220993 |
| InChI | 1S/C24H20N2/c1-3-7-21(8-4-1)25-23-15-11-19(12-16-23)20-13-17-24(18-14-20)26-22-9-5-2-6-10-22/h1-18,25-26H |
| InChIKey | FDRNXKXKFNHNCA-UHFFFAOYSA-N |
| SMILES | N(c1ccccc1)c2ccc(cc2)-c3ccc(Nc4ccccc4)cc3 |
| CAS Datenbank | 531-91-9(CAS DataBase Reference) |
| NIST chemische Informationen | [1,1'-Biphenyl]-4,4'-diamine, n,n'-diphenyl-(531-91-9) |
| EPA chemische Informationen | [1,1'-Biphenyl]-4,4'-diamine, N,N'-diphenyl- (531-91-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: [1,1'-Biphenyl]-4,4'-diamine, N,N'-diphenyl-[1,1'-Biphenyl]-4,4'-diamine, N,N'-diphenyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | May cause irritation[Alfa Aesar MSDS] See Benzidine and Diphenylamine. |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| F | 8 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 2811 |
| Zollcode | 29215900 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 22-24/25 |
| Gefahrenklasse | 6.1(b) |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
N,N'-Diphenylbenzidine is an indicator suitable for redox titrations, e.g. with dichromate or cerium(IV) sulfate 1,2. It is also used as intermediates in organic synthesis.