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138321-99-0

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Basic Information
CAS No.: 138321-99-0
Name: 6fapbp
Article Data: 2
Molecular Structure:
Molecular Structure of 138321-99-0 (6fapbp)
Formula: C26H18F6N2O2
Molecular Weight: 504.432
Synonyms: 4,4-Bis(4-amino-2-trifluoromethylphenoxy)biphenyl
Density: 1.372g/cm3
Melting Point: 155-156 oC
Boiling Point: 554.793 °C at 760 mmHg
Flash Point: 289.329 °C
PSA: 70.50000
LogP: 9.30260
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Specification

The 4,4'-Bis(4-amino-2-trifluoromethylphenoxy)biphenyl with cas registry number of 138321-99-0, its systematic name is 4,4'-[biphenyl-4,4'-diylbis(oxy)]bis[3-(trifluoromethyl)aniline], it is also called benzenamine, 4,4'-[[1,1'-biphenyl]-4,4'-diylbis(oxy)]bis[3-(trifluoromethyl)-.

Physical properties about this chemical are: (1)ACD/LogP: 7.16; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 7; (4)ACD/LogD (pH 7.4): 7; (5)ACD/BCF (pH 5.5): 285220; (6)ACD/BCF (pH 7.4): 291248; (7)ACD/KOC (pH 5.5): 277828; (8)ACD/KOC (pH 7.4): 283701; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 70.5 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 122.164 cm3; (15)Molar Volume: 367.473 cm3; (16)Polarizability: 48.43×10-24cm3; (17)Surface Tension: 40.84 dyne/cm; (18)Enthalpy of Vaporization: 83.595 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: (1)SMILES:FC(F)(F)c4cc(N)ccc4Oc1ccc(cc1)c2ccc(cc2)Oc3ccc(N)cc3C(F)(F)F; (2)InChI:InChI=1/C26H18F6N2O2/c27-25(28,29)21-13-17(33)5-11-23(21)35-19-7-1-15(2-8-19)16-3-9-20(10-4-16)36-24-12-6-18(34)14-22(24)26(30,31)32/h1-14H,33-34H2; (3)InChIKey:IWFSADBGACLBMH-UHFFFAOYAP; (4)Std. InChI:InChI=1S/C26H18F6N2O2/c27-25(28,29)21-13-17(33)5-11-23(21)35-19-7-1-15(2-8-19)16-3-9-20(10-4-16)36-24-12-6-18(34)14-22(24)26(30,31)32/h1-14H,33-34H2; (5)Std. InChIKey:IWFSADBGACLBMH-UHFFFAOYSA-N.