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| CAS No.: | 69563-88-8 |
|---|---|
| Name: | 2,2-Bis[4-(4-aminophenoxy)phenyl]hexafluoropropane |
| Article Data: | 6 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C27H20F6N2O2 |
| Molecular Weight: | 518.458 |
| Synonyms: | 2,2-Bis[4-(4-aminophenoxy)phenyl]hexafluoropropane;4,4'-Hexafluoroisopropylidenebis(p-phenyleneoxy)dianiline;4,4'-[4,4'-(Perfluoropropane-2,2-diyl)bis(4,1-phenyleneoxy)]dianiline; |
| EINECS: | 626-703-8 |
| Density: | 1.359 g/cm3 |
| Melting Point: | 159-163 °C(lit.) |
| Boiling Point: | 544.8 °C at 760 mmHg |
| Flash Point: | 283.3 °C |
| Solubility: | N/A |
| Appearance: | White crystals |
| Hazard Symbols: |
 Xn,  Xi
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 26-36 |
| Transport Information: | N/A |
| PSA: | 70.50000 |
| LogP: | 9.00870 |
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The IUPAC name of 4,4'-((2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene)bis(4,1-phenyleneoxy))bisbenzenamine is 4-[4-[2-[4-(4-aminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]aniline . With the CAS registry number 69563-88-8, it is also named as 2,2-Bis(4-(4-aminophenoxy)phenyl)hexafluoropropane ; 4-BDAF ; Benzenamine, 4,4'-((2,2,2-trifluoro-1-(trifluoromethyl)ethylidene)bis(4,1-phenyleneoxy))bis- ; (4-{4-[1-[4-(4-aminophenoxy)phenyl]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phenoxy}phenyl)amine . The product's categories are miscellaneous, bisphenol AF type compounds (for high-performance polymer research), functional materials and reagent for high-performance polymer research.
This product is white crystals. When heated to decomposition it emits toxic vapors of NOx and F-. It is harmful if swallowed. And it is also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.57 ; (2)# of Rule of 5 Violations: 1 ; (3)ACD/LogD (pH 5.5): 4.49 ; (4)ACD/LogD (pH 7.4): 4.57 ; (5)ACD/BCF (pH 5.5): 1460.65 ; (6)ACD/BCF (pH 7.4): 1759.67 ; (7)ACD/KOC (pH 5.5): 6074.13 ; (8)ACD/KOC (pH 7.4): 7317.59 ; (9)#H bond acceptors: 4 ; (10)#H bond donors: 4 ; (11)#Freely Rotating Bonds: 8 ; (12)Index of Refraction: 1.578 ; (13)Molar Refractivity: 126.67 cm3 ; (14)Molar Volume: 381.2 cm3 ; (15)Polarizability: 50.21×10-24 cm3 ; (16)Surface Tension: 42 dyne/cm ; (17)Enthalpy of Vaporization: 82.35 kJ/mol ; (18)Vapour Pressure: 6.27E-12 mmHg at 25°C ; (19)Rotatable Bond Count: 6 ; (20)Exact Mass: 518.142897 ; (21)MonoIsotopic Mass: 518.142897 ; (22)Topological Polar Surface Area: 70.5 ; (23)Heavy Atom Count: 37.
People can use the following data to convert to the molecule structure. SMILES: FC(F)(F)C(c2ccc(Oc1ccc(N)cc1)cc2)(c4ccc(Oc3ccc(cc3)N)cc4)C(F)(F)F; InChI: InChI=1/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. 4,4'-((2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene)bis(4,1-phenyleneoxy))bisbenzenamine has many suppliers, such as Changzhou Sunlight Pharmaceutical Co., Ltd.. The price of this product changes with the market.
The following is the toxicity data which has been tested.
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD | skin | > 2gm/kg (2000mg/kg) | National Technical Information Service. Vol. OTS0529936-1, | |
| rat | LD50 | oral | 1340mg/kg (1340mg/kg) | LIVER: OTHER CHANGES | National Technical Information Service. Vol. OTS0529936-1, |
