Benzenamine, 4,4'-[[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis(4,1-phenyleneoxy)]bis-
HFBAPP · 6FBAPP · 4-BDAF · 4,4'-(((Perfluoropropane-2,2-diyl)bis(4,1-phenylene))bis(oxy))dianiline · 4-(4-aminophenoxy)phenyl · BAPOFP · BIS-AF-A · GI 530159
![Molekülstruktur von Benzenamine, 4,4'-[[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis(4,1-phenyleneoxy)]bis-](/img/chemical/94652.png)
Identifikatoren & physikalische Daten
| CAS No. | 69563-88-8 |
|---|---|
| Summenformel | C27H20F6N2O2 |
| Durchschnittliche Molmasse | 518,4 g/mol |
| Monoisotopische Masse | 518,1428972 g/mol |
| SMILES | Nc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1 |
| InChIKey | HHLMWQDRYZAENA-UHFFFAOYSA-N |
| PubChem CID | 94652 |
| ChEMBL | CHEMBL4562388 |
| EC No. | 626-703-8 |
| DTXSID | DTXSID3071987 |
Chemische & physikalische Eigenschaften
| XLogP | 7,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 70,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 10 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 37 |
| Formalladung | 0 |
| Komplexität | 641 |
| Schmelzpunkt | 159-163 °C(lit.) |
| Siedepunkt | 544.8±50.0 °C(Predicted) |
| Dichte | 1.3455 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Insoluble in waterSoluble in DMSO |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 4.80±0.10(Predicted) |
| Farbe | White to Almost white |
| InChI | InChI=1S/C27H20F6N2O2/c28-26(29,30)25(27(31,32)33,17-1-9-21(10-2-17)36-23-13-5-19(34)6-14-23)18-3-11-22(12-4-18)37-24-15-7-20(35)8-16-24/h1-16H,34-35H2 |
| InChIKey | HHLMWQDRYZAENA-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(OC2=CC=C(N)C=C2)C=C1)(C1=CC=C(OC2=CC=C(N)C=C2)C=C1)(C(F)(F)F)C(F)(F)F |
| CAS Datenbank | 69563-88-8(CAS DataBase Reference) |
| EPA chemische Informationen | Benzenamine, 4,4'-[[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis(4,1-phenyleneoxy)]bis- (69563-88-8) |
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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 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. | CY1213000 |
| R-Sätze (R) | 22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
2,2-Bis[4-(4-aminophenoxy)phenyl]hexafluoropropane (4-BDAF or HFBAPP) is composed of two phenoxyanilines linked by a hexafluoroisopropane. 4-BDAF is commonly used in the synthesis of polyimides, and the semicrystalline and amorphous fluorinated polyimides developed have high transition temperatures and good The developed semi-crystalline and amorphous fluorinated polyimides have high transition temperatures and good thermal stability. Polyimides derived from 4-BDAF and trimellitic anhydride (PMDA) are semi-crystalline and have a melting point of 472°C. Addition of 6F dianhydride (2,2′-bis(3,4-dicarboxyphenyl)hexafluoropropane dianhydride, 6FDA) as a copolymer monomer to the PMDA/4-BDAF polyimides lowers the melting point to 440°C. The melting point of the polyimides is reduced to 440°C by using 1,1-bis(4-aminophenyl)-1 Polyimides based on 1,1-bis(4-aminophenyl)-1-phenyl-2,2,2-trifluoroethane (3F diamine, 3FDAM) are soluble and amorphous. The glass transition temperature of PMDA/3FDAM-based polyimides exceeds 420°C. These fluoropolyimide systems are currently being investigated as candidates for high-temperature applications[1].
Verwenden
2,2-BIS[4-(4-AMINOPHENOXY)PHENYL]HEXAFLUOROPROPANE is used for the preparation of a polyimide material.