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2,2-Bis[4-(4-aminophenoxy)phenyl]hexafluoropropane

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Name

2,2-Bis[4-(4-aminophenoxy)phenyl]hexafluoropropane

EINECS 626-703-8
CAS No. 69563-88-8 Density 1.359 g/cm3
PSA 70.50000 LogP 9.00870
Solubility Insoluble in water Melting Point 159-163 °C(lit.)
Formula C27H20F6N2O2 Boiling Point 544.8 °C at 760 mmHg
Molecular Weight 518.458 Flash Point 283.3 °C
Transport Information N/A Appearance White crystals
Safety 26-36 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 69563-88-8 (2,2-Bis[4-(4-aminophenoxy)phenyl]hexafluoropropane) Hazard Symbols HarmfulXn, IrritantXi
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;

Article Data 6

2,2-Bis[4-(4-aminophenoxy)phenyl]hexafluoropropane Specification

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,

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