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Name |
1,2-Bis(4-fluorophenyl)ethane |
EINECS | N/A |
CAS No. | 458-76-4 | Density | 1.14 g/cm3 |
PSA | 0.00000 | LogP | 3.75000 |
Solubility | N/A | Melting Point |
90 °C |
Formula | C14H12F2 | Boiling Point | 268.9 °C at 760 mmHg |
Molecular Weight | 218.246 | Flash Point | 96.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
1-Fluoro-4-[2-(4-fluorophenyl)ethyl]benzene;1,1'-Ethane-1,2-diylbis(4-fluorobenzene);1-Fluoro-4-(4-fluorophenethyl)benzene;3-Fluoropyridine-4-boronic acid; |
Article Data | 40 |
The 1,2-Bis(4-fluorophenyl)ethane, with the CAS registry number 458-76-4, is also known as 1-Fluoro-4-[2-(4-fluorophenyl)ethyl]benzene. This chemical's molecular formula is C14H12F2 and molecular weight is 218.24. What's more, its systematic name is 1,1'-ethane-1,2-diylbis(4-fluorobenzene). When you are using this chemical, please be cautious about it. It may cause inflammation to the skin or other mucous membranes.
Physical properties of 1,2-Bis(4-fluorophenyl)ethane are: (1)ACD/LogP: 4.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.8; (4)ACD/LogD (pH 7.4): 4.8; (5)ACD/BCF (pH 5.5): 2629.45; (6)ACD/BCF (pH 7.4): 2629.45; (7)ACD/KOC (pH 5.5): 9761.9; (8)ACD/KOC (pH 7.4): 9761.9; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 60.27 cm3; (15)Molar Volume: 191.3 cm3; (16)Polarizability: 23.89×10-24cm3; (17)Surface Tension: 36.4 dyne/cm; (18)Density: 1.14 g/cm3; (19)Flash Point: 96.3 °C; (20)Enthalpy of Vaporization: 48.66 kJ/mol; (21)Boiling Point: 268.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0124 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)CCc2ccc(F)cc2
(2)Std. InChI: InChI=1S/C14H12F2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10H,1-2H2
(3)Std. InChIKey: PYRSXVQXDHTFMW-UHFFFAOYSA-N