3,5-Bis(trifluoromethyl)anisole

The Benzene, 1-methoxy-3, 5-bis(trifluoromethyl)-, with the CAS registry number of 349-60-0, is also known as 3, 5-Bis(trifluoromethyl)anisole. Its EINECS registry number is 254-602-5. This chemical's molecular formula is C₉H₆F₆O and molecular weight is 244.13. What's more, its IUPAC name is 1-Methoxy-3, 5-bis(trifluoromethyl)benzene. Besides, it can be stored at room temperature.

Physical properties about Benzene, 1-methoxy-3, 5-bis(trifluoromethyl)- are: (1)ACD/LogP: 4.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.54; (4)ACD/LogD (pH 7.4): 4.54; (5)ACD/BCF (pH 5.5): 1650.77; (6)ACD/BCF (pH 7.4): 1650.77; (7)ACD/KOC (pH 5.5): 6995.5; (8)ACD/KOC (pH 7.4): 6995.5; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.391; (14)Molar Refractivity: 42.89 cm³; (15)Molar Volume: 180.4 cm³; (16)Polarizability: 17×10^-24 cm³; (17)Surface Tension: 19.3 dyne/cm; (18)Density: 1.352 g/cm³; (19)Flash Point: 55.4 °C; (20)Enthalpy of Vaporization: 37.84 kJ/mol; (21)Boiling Point: 158 °C at 760 mmHg; (22)Vapour Pressure: 3.47 mmHg at 25 °C.

Preparation: this chemical is prepared by 5-Methoxy-isophthalic acid. This reaction needs reagents HF and SF₄. The reaction time is 20 hours with reaction temperature of 140 °C. The yield is about 83 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 2-Methoxy-4, 6-bis-trifluoromethyl-benzoic acid at ambient temperature. The reaction needs reagent n-BuLi and solvent Diethyl ether. The reaction time is 2 hours. The yield is about 84.2 %.

When you are using this chemical, please be cautious about it as the following:
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(OC)cc(c1)C(F)(F)F
(2) InChI: InChI=1/C9H6F6O/c1-16-7-3-5(8(10,11)12)2-6(4-7)9(13,14)15/h2-4H,1H3
(3) InChIKey: HQZFGUOTUIHWLR-UHFFFAOYAS