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Name |
Benzene,1,2,3-trifluoro-5-[(trans,trans)-4'-pentyl[1,1'-bicyclohexyl]-4-yl]- |
EINECS | N/A |
CAS No. | 137644-54-3 | Density | 1.045 g/cm3 |
PSA | 0.00000 | LogP | 7.76440 |
Solubility | N/A | Melting Point |
85.0 to 89.0 °C |
Formula | C23H33F3 | Boiling Point | 410.2 °C at 760 mmHg |
Molecular Weight | 366.51 | Flash Point | 234.1 °C |
Transport Information | N/A | Appearance | cream |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzene,1,2,3-trifluoro-5-(4'-pentyl[1,1'-bicyclohexyl]-4-yl)-, [trans(trans)]-;CCP5FFF; |
Article Data | 3 |
The Benzene,1,2,3-trifluoro-5-[(trans,trans)-4'-pentyl[1,1'-bicyclohexyl]-4-yl]- is an organic compound with the formula C23H33F3. The systematic name of this chemical is 4-pentyl-4'-(3,4,5-trifluorophenyl)-1,1'-bi(cyclohexyl). With the CAS registry number 137644-54-3, it is also named as benzene, 1,2,3-trifluoro-5-(4'-pentyl[1,1'-bicyclohexyl]-4-yl)-.
Physical properties about Benzene,1,2,3-trifluoro-5-[(trans,trans)-4'-pentyl[1,1'-bicyclohexyl]-4-yl]- 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): 5934265; (8)ACD/KOC (pH 7.4): 5934265; (9)#Freely Rotating Bonds: 6; (10)Index of Refraction: 1.488; (11)Molar Refractivity: 101.03 cm3; (12)Molar Volume: 350.4 cm3; (13)Polarizability: 40.05×10-24cm3; (14)Surface Tension: 33.7 dyne/cm; (15)Density: 1.045 g/cm3; (16)Flash Point: 234.1 °C; (17)Enthalpy of Vaporization: 63.67 kJ/mol; (18)Boiling Point: 410.2 °C at 760 mmHg; (19)Vapour Pressure: 1.46E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(cc(F)c1F)C2CCC(CC2)C3CCC(CC3)CCCCC
(2)InChI: InChI=1/C23H33F3/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/h14-19H,2-13H2,1H3
(3)InChIKey: TXHFUCYJBLLNIG-UHFFFAOYAA