Basic Information | Post buying leads | Suppliers |
Name |
4-[trans-4-(trans-4-Pentylcyclohexyl)cyclohexyl]-1,2-difluorobenzene |
EINECS | 219-966-1 |
CAS No. | 118164-51-5 | Density | 1.006 g/cm3 |
PSA | 0.00000 | LogP | 7.62530 |
Solubility | Slightly soluble in water. | Melting Point |
45-47℃ |
Formula | C23H34F2 | Boiling Point | 415.5 °C at 760 mmHg |
Molecular Weight | 348.51 | Flash Point | 173.7 °C |
Transport Information | N/A | Appearance | cream |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzene,1,2-difluoro-4-(4'-pentyl[1,1'-bicyclohexyl]-4-yl)-, [trans(trans)]-;4-[trans-4-(trans-4-Pentylcyclohexyl)cyclohexyl]-1,2-difluorobenzene; |
The 4-[trans-4-(trans-4-Pentylcyclohexyl)cyclohexyl]-1,2-difluorobenzene with the cas number 118164-51-5 is also called Benzene,1,2-difluoro-4-[(trans,trans)-4'-pentyl[1,1'-bicyclohexyl]-4-yl]-. The systematic name is 4-(3,4-difluorophenyl)-4'-pentyl-1,1'-bi(cyclohexyl). Its molecular formula is C23H34F2.
The properties of the chemical are: (1)ACD/LogP: 9.92; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.92; (4)ACD/LogD (pH 7.4): 9.92; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 5939642.5; (8)ACD/KOC (pH 7.4): 5939642.5; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.495; (14)Molar Refractivity: 101.04 cm3; (15)Molar Volume: 346.2 cm3; (16)Polarizability: 40.05×10-24cm3; (17)Surface Tension: 34.2 dyne/cm; (18)Enthalpy of Vaporization: 64.26 kJ/mol; (19)Vapour Pressure: 9.9×10-7 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1F)C2CCC(CC2)C3CCC(CC3)CCCCC
(2)InChI: InChI=1/C23H34F2/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/h14-20H,2-13H2,1H3
(3)InChIKey: YDVUSMRUBCJGAV-UHFFFAOYAZ