4-(TRIFLUOROMETHYL)DIPHENYL ETHER

The Benzene, 1-phenoxy-4-(trifluoromethyl)-, with the CAS registry number 2367-02-4, is also known as 4-(Trifluoromethyl)diphenyl ether. This chemical's molecular formula is C₁₃H₉F₃O and molecular weight is 238.21. What's more, its systematic name is 1-Phenoxy-4-(trifluoromethyl)benzene. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be kept away from oxidant.

Physical properties about Benzene, 1-phenoxy-4-(trifluoromethyl)- are: (1)ACD/LogP: 4.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.43; (4)ACD/LogD (pH 7.4): 4.43; (5)ACD/BCF (pH 5.5): 1363.99; (6)ACD/BCF (pH 7.4): 1363.99; (7)ACD/KOC (pH 5.5): 6102.34; (8)ACD/KOC (pH 7.4): 6102.34; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 57.67 cm³; (15)Molar Volume: 193.5 cm³; (16)Polarizability: 22.86×10^-24 cm³; (17)Surface Tension: 30.7 dyne/cm; (18)Density: 1.23 g/cm³; (19)Flash Point: 120.4 °C; (20)Enthalpy of Vaporization: 48.11 kJ/mol; (21)Boiling Point: 263.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0167 mmHg at 25 °C.

Preparation of Benzene, 1-phenoxy-4-(trifluoromethyl)-: this chemical is prepared by reaction of 4-Trifluoromethyl-phenol with Triphenylbismuth dichloride. The reaction needs reagent N-tert-Butyl-N', N', N'', N''-tetramethylguanidine (BTMG) and solvent Tetrahydrofuran. Other conditions of this reaction are R.T., 0.5 h; reflux, 3 h. The yield is about 70 %.

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. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c2ccc(Oc1ccccc1)cc2
(2) InChI: InChI=1/C13H9F3O/c14-13(15,16)10-6-8-12(9-7-10)17-11-4-2-1-3-5-11/h1-9H
(3) InChIKey: UZJUDUZMPNCXPF-UHFFFAOYAQ