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Benzenamine, 4,4'-[1,3-phenylenebis(oxy)]bis-
TPE-R · 1,3,4-APB · 4,4'-(1,3-phenylenebis(oxy))dianiline · 7FDA · 4,4'-(m-Phenyle · RESORCINOLDIANILINE · 4,4'-(1,3-Phenylened · resorcinoloxydianiline
![Molekülstruktur von Benzenamine, 4,4'-[1,3-phenylenebis(oxy)]bis-](/img/chemical/17201.png)
Identifikatoren & physikalische Daten
| CAS No. | 2479-46-1 |
|---|---|
| Summenformel | C18H16N2O2 |
| Durchschnittliche Molmasse | 292,3 g/mol |
| Monoisotopische Masse | 292,12117775 g/mol |
| SMILES | Nc1ccc(Oc2cccc(Oc3ccc(N)cc3)c2)cc1 |
| InChIKey | WUPRYUDHUFLKFL-UHFFFAOYSA-N |
| PubChem CID | 17201 |
| ChEMBL | CHEMBL1332684 |
| EC No. | 628-902-5 |
| DTXSID | DTXSID8051914 |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 70,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 22 |
| Formalladung | 0 |
| Komplexität | 293 |
| Collision Cross Section | 177.7 Ų [M]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID8051914] |
| Schmelzpunkt | 115-118 °C(lit.) |
| Siedepunkt | 434.27°C (rough estimate) |
| Dichte | 1.1925 (rough estimate) |
| Brechungsindex | 1.5700 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | very faint turbidity in Acetonitrile |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 5.06±0.10(Predicted) |
| Farbe | White to Brown |
| InChI | InChI=1S/C18H16N2O2/c19-13-4-8-15(9-5-13)21-17-2-1-3-18(12-17)22-16-10-6-14(20)7-11-16/h1-12H,19-20H2 |
| InChIKey | WUPRYUDHUFLKFL-UHFFFAOYSA-N |
| SMILES | C1(OC2=CC=C(N)C=C2)=CC=CC(OC2=CC=C(N)C=C2)=C1 |
| CAS Datenbank | 2479-46-1(CAS DataBase Reference) |
| EPA chemische Informationen | Benzenamine, 4,4'-[1,3-phenylenebis(oxy)]bis- (2479-46-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Benzenamine, 4,4'-[1,3-phenylenebis(oxy)]bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenamine, 4,4'-[1,3-phenylenebis(oxy)]bis- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance. |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29222990 |
| RTECS-Nr. | BY8236000 |
| R-Sätze (R) | 22-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
1,3-Bis(4'-aminophenoxyl)benzene be used for the preparation of a polyimide material.