-
Name
TRANS,TRANS-4-(3,4-DIFLUOROPHENYL)-4''-PENTYLBICYCLOHEXYL
- EINECS 219-966-1
- CAS No. 118164-51-5
- Density 1.006 g/cm3
- 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
- Appearance cream
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- 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;
- PSA 0.00000
- LogP 7.62530
4-[trans-4-(trans-4-Pentylcyclohexyl)cyclohexyl]-1,2-difluorobenzene Specification
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
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