CAS No.134412-17-2,4''-(TRANS-4-PENTYLCYCLOHEXYL)-3,4-DIFLUOROBIPHENYL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	134412-17-2
Name:	4''-(TRANS-4-PENTYLCYCLOHEXYL)-3,4-DIFLUOROBIPHENYL
Article Data:	1

Formula:	C₂₃H₂₈F₂
Molecular Weight:	342.47
Synonyms:	Cyclohexane, 1-(3',4'-difluoro[1,1'-biphenyl]-4-yl)-4-pentyl-, trans-;
Density:	1.033 g/cm³
Melting Point:	56-57℃
Boiling Point:	431.3 °C at 760 mmHg
Flash Point:	182 °C
Solubility:	Sparingly Soluble in water.
PSA:	0.00000
LogP:	7.48590

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Specification

The 1,1'-Biphenyl,3,4-difluoro-4'-(trans-4-pentylcyclohexyl)-, with the CAS registry number of 134412-17-2, is also known as Cyclohexane, 1-(3',4'-difluoro[1,1'-biphenyl]-4-yl)-4-pentyl-, trans-. Its molecular formula is C₂₃H₂₈F₂ and molecular weight is 342.47. What's more, its systematic name is 3,4-Difluoro-4'-(trans-4-pentylcyclohexyl)biphenyl.

Physical properties about the 1,1'-Biphenyl,3,4-difluoro-4'-(trans-4-pentylcyclohexyl)- are: (1)ACD/LogP: 8.98; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.98; (4)ACD/LogD (pH 7.4): 8.98; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1826820.5; (8)ACD/KOC (pH 7.4): 1826820.5; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: Å²; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 99.91 cm³; (15)Molar Volume: 331.4 cm³; (16)Surface Tension: 34.7 dyne/cm; (17)Density: 1.033 g/cm³; (18)Flash Point: 182 °C; (19)Enthalpy of Vaporization: 66.04 kJ/mol; (20)Boiling Point: 431.3 °C at 760 mmHg; (21)Vapour Pressure: 3.05E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc(cc1F)c2ccc(cc2)[C@@H]3CC[C@@H](CCCCC)CC3
(2) InChI: InChI=1/C23H28F2/c1-2-3-4-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-15-22(24)23(25)16-21/h10-18H,2-9H2,1H3/t17-,18-
(3) InChIKey: NQLHGECGZRJQLF-IYARVYRRBC