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458-76-4

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Basic Information
CAS No.: 458-76-4
Name: 1,2-Bis(4-fluorophenyl)ethane
Article Data: 40
Molecular Structure:
Molecular Structure of 458-76-4 (1,2-Bis(4-fluorophenyl)ethane)
Formula: C14H12F2
Molecular Weight: 218.246
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;
Density: 1.14 g/cm3
Melting Point: 90 °C
Boiling Point: 268.9 °C at 760 mmHg
Flash Point: 96.3 °C
Hazard Symbols: IrritantXi
PSA: 0.00000
LogP: 3.75000
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Specification

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