CAS No.94525-05-0,4,4'-[1,4-PHENYLENEBIS(OXY)]BIS[3-(TRIFLUOROMETHYL]BENZENAMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	94525-05-0
Name:	4,4'-[1,4-PHENYLENEBIS(OXY)]BIS[3-(TRIFLUOROMETHYL]BENZENAMINE

Formula:	C₂₀H₁₄F₆N₂O₂
Molecular Weight:	428.33
Synonyms:	4,4'-[benzene-1,4-diylbis(oxy)]bis[3-(trifluoromethyl)aniline];benzenamine, 4,4'-[1,4-phenylenebis(oxy)]bis[3-(trifluoromethyl)-;4,4'-[1,4-Phenylenebis(oxy)]bis[3-(trifluoromethyl]benzenamine;
EINECS:	807-961-2
Density:	1.417 g/cm³
Melting Point:	132.0 to 136.0 °C
Boiling Point:	465.748 °C at 760 mmHg
Flash Point:	235.476 °C
PSA:	70.50000
LogP:	7.63560

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Specification

The 4,4'-[1,4-Phenylenebis(oxy)]bis[3-(trifluoromethyl)aniline], with the CAS registry number 94525-05-0, has the systematic name of 4,4'-[benzene-1,4-diylbis(oxy)]bis[3-(trifluoromethyl)aniline]. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₂₀H₁₄F₆N₂O₂.

The characteristics of 4,4'-[1,4-Phenylenebis(oxy)]bis[3-(trifluoromethyl)aniline] are as followings: (1)ACD/LogP: 5.30; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6; (4)ACD/LogD (pH 7.4): 6; (5)ACD/BCF (pH 5.5): 43677; (6)ACD/BCF (pH 7.4): 44667; (7)ACD/KOC (pH 5.5): 72489; (8)ACD/KOC (pH 7.4): 74133; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 70.5 Å²; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 97.572 cm³; (15)Molar Volume: 302.188 cm³; (16)Polarizability: 38.681×10^-24cm³; (17)Surface Tension: 39.089 dyne/cm; (18)Density: 1.417 g/cm³; (19)Flash Point: 235.476 °C; (20)Enthalpy of Vaporization: 72.741 kJ/mol; (21)Boiling Point: 465.748 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)c3cc(N)ccc3Oc1ccc(cc1)Oc2ccc(N)cc2C(F)(F)F
(2)InChI: InChI=1/C20H14F6N2O2/c21-19(22,23)15-9-11(27)1-7-17(15)29-13-3-5-14(6-4-13)30-18-8-2-12(28)10-16(18)20(24,25)26/h1-10H,27-28H2
(3)InChIKey: LACZRKUWKHQVKS-UHFFFAOYAY