Product Name

  • Name

    3,4,5-Trifluoro-4'-(trans-4-pentylcyclohexyl)biphenyl

  • EINECS
  • CAS No. 137019-95-5
  • Article Data7
  • CAS DataBase
  • Density 1.073 g/cm3
  • Solubility
  • Melting Point
  • Formula C23H27F3
  • Boiling Point 429.9 °C at 760 mmHg
  • Molecular Weight 360.463
  • Flash Point 248.4 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 137019-95-5 (3,4,5-Trifluoro-4'-(trans-4-pentylcyclohexyl)biphenyl)
  • Hazard Symbols
  • Synonyms Cyclohexane, 1-pentyl-4-(3', 4', 5'-trifluoro[1, 1'-biphenyl]-4-yl)-, trans-;
  • PSA 0.00000
  • LogP 7.62500

3, 4, 5-Trifluoro-4'-(trans-4-pentylcyclohexyl)biphenyl Specification

The 3, 4, 5-Trifluoro-4'-(trans-4-pentylcyclohexyl)biphenyl, with the CAS registry number 137019-95-5, is also known as Cyclohexane, 1-pentyl-4-(3', 4', 5'-trifluoro[1, 1'-biphenyl]-4-yl)-, trans-. This chemical's molecular formula is C23H27F3 and molecular weight is 360.46. What's more, its systematic name is 1, 2, 3-Trifluoro-5-[4-(4-pentylcyclohexyl)phenyl]benzene. 

Physical properties about 3, 4, 5-Trifluoro-4'-(trans-4-pentylcyclohexyl)biphenyl are: (1)ACD/LogP: 9.41; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.41; (4)ACD/LogD (pH 7.4): 9.41; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 3131602.5; (8)ACD/KOC (pH 7.4): 3131602.5; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.507; (13)Molar Refractivity: 99.91 cm3; (14)Molar Volume: 335.6 cm3; (15)Polarizability: 39.6×10-24 cm3; (16)Surface Tension: 34.2 dyne/cm; (17)Density: 1.073 g/cm3; (18)Flash Point: 248.4 °C; (19)Enthalpy of Vaporization: 65.88 kJ/mol; (20)Boiling Point: 429.9 °C at 760 mmHg; (21)Vapour Pressure: 3.39E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCCCC[C@H]1CC[C@@H](CC1)c2ccc(cc2)c3cc(c(c(c3)F)F)F
(2) InChI: InChI=1/C23H27F3/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-21(24)23(26)22(25)15-20/h10-17H,2-9H2,1H3/t16-,17-
(3) InChIKey: PRYCYWMMSZSXBK-QAQDUYKDBX

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