3,5-BIS(TRIFLUOROMETHYL)STYRENE

The Benzene, 1-ethenyl-3, 5-bis(trifluoromethyl)-, with the CAS registry number of 349-59-7, is also known as 3, 5-Bis(trifluoromethyl)styrene and 3, 5-Bis(trifluoromethyl)-1-vinylbenzene. It belongs to the product category of Miscellaneous. This chemical's molecular formula is C₁₀H₆F₆ and molecular weight is 240.15. What's more, its IUPAC name is 1-Ethenyl-3, 5-bis(trifluoromethyl)benzene.

Physical properties about Benzene, 1-ethenyl-3, 5-bis(trifluoromethyl)- are: (1)ACD/LogP: 4.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.69; (4)ACD/LogD (pH 7.4): 4.69; (5)ACD/BCF (pH 5.5): 2175.4; (6)ACD/BCF (pH 7.4): 2175.4; (7)ACD/KOC (pH 5.5): 8523.29; (8)ACD/KOC (pH 7.4): 8523.29; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.43; (14)Molar Refractivity: 47.13 cm³; (15)Molar Volume: 182.4 cm³; (16)Polarizability: 18.68×10^-24 cm³; (17)Surface Tension: 20.1 dyne/cm; (18)Density: 1.316 g/cm³; (19)Flash Point: 50 °C; (20)Enthalpy of Vaporization: 38.42 kJ/mol; (21)Boiling Point: 164.2 °C at 760 mmHg; (22)Vapour Pressure: 2.61 mmHg at 25 °C; (23)Meiting Point:7-8 °C(lit. ).

Preparation: this chemical is prepared by reaction of Ethene with 1-Bromo-3, 5-bis-trifluoromethyl-benzene. The reaction needs reagents N(C₄H₉)(1+)•Cl(1-) and Et₃N. Meanwhile, it needs solvent Acetonitrile and catalyst Pd(OAc)₂. The reaction time is 36 hours with reaction temperature of 80 °C. What’s more, the reaction pressure is 49129.1 Pa. The yield is about 95 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 1-(3, 5-bis-Trifluoromethyl-phenyl)-ethane-1, 2-diol. This reaction needs reagents K₂OsO₂(OH)₄, (DHQ)₂-PHAL, NMO. Meanwhile, it needs solvents H₂O and 2-Methyl-propan-2-ol. The reaction time is 6 hours with reaction temperature of 20 °C. The yield is about 80 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is flammable, and it may catch fire in contact with an ignition source. Hence, keep it away from sources of ignition. 

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1cc(cc(c1)C(F)(F)F)\C=C
(2) InChI: InChI=1/C10H6F6/c1-2-6-3-7(9(11,12)13)5-8(4-6)10(14,15)16/h2-5H,1H2
(3) InChIKey: LFICVUCVPKKPFF-UHFFFAOYAJ