CAS No.137019-94-4,4'-(4-Ethylcyclohexyl)-3, 4, 5-trifluorobiphenyl (Related Reference) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	137019-94-4
Name:	4'-(4-Ethylcyclohexyl)-3, 4, 5-trifluorobiphenyl (Related Reference)

Formula:	C₂₀H₂₁F₃
Molecular Weight:	318.3759
Synonyms:	1, 1'-Biphenyl, 4'-(4-ethylcyclohexyl)-3, 4, 5-trifluoro-, trans-;
Density:	1.112 g/cm³
Boiling Point:	388.4 °C at 760 mmHg
Flash Point:	218.1 °C
PSA:	0.00000
LogP:	6.45470

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Specification

The 4'-(4-Ethylcyclohexyl)-3, 4, 5-trifluorobiphenyl, with the CAS registry number 137019-94-4, is also known as 1, 1'-Biphenyl, 4'-(4-ethylcyclohexyl)-3, 4, 5-trifluoro-, trans-. This chemical's molecular formula is C₂₀H₂₁F₃ and molecular weight is 318.3759. What's more, its systematic name is 4'-(4-Ethylcyclohexyl)-3, 4, 5-trifluorobiphenyl.

Physical properties about 4'-(4-Ethylcyclohexyl)-3, 4, 5-trifluorobiphenyl are: (1)ACD/LogP: 7.82; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.82; (4)ACD/LogD (pH 7.4): 7.82; (5)ACD/BCF (pH 5.5): 512554.63; (6)ACD/BCF (pH 7.4): 512554.63; (7)ACD/KOC (pH 5.5): 425210; (8)ACD/KOC (pH 7.4): 425210; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.513; (13)Molar Refractivity: 86.01 cm³; (14)Molar Volume: 286.1 cm³; (15)Polarizability: 34.09×10^-24cm³; (16)Surface Tension: 34.3 dyne/cm; (17)Density: 1.112 g/cm³; (18)Flash Point: 218.1 °C; (19)Enthalpy of Vaporization: 61.26 kJ/mol; (20)Boiling Point: 388.4 °C at 760 mmHg; (21)Vapour Pressure: 6.89E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCC1CCC(CC1)c2ccc(cc2)c3cc(F)c(F)c(F)c3
(2) InChI: InChI=1/C20H21F3/c1-2-13-3-5-14(6-4-13)15-7-9-16(10-8-15)17-11-18(21)20(23)19(22)12-17/h7-14H,2-6H2,1H3
(3) InChIKey: IZQPXKDLSVKAMJ-UHFFFAOYAM