1,3,5-Tris(trifluoromethyl)benzene

The 1,3,5-Tris(trifluoromethyl)benzene, with its CAS registry number 729-81-7, has the systematic name of Benzene, 1,3,5-tris(trifluoromethyl)-. Being a kind of odorless clear  liquid, its product categories are including Benzene series; C9 to C12; Aryl; Halogenated Hydrocarbons.

The physical properties of this chemical are as below: (1)ACD/LogP: 4.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.77; (4)ACD/LogD (pH 7.4): 4.77; (5)ACD/BCF (pH 5.5): 2499.24; (6)ACD/BCF (pH 7.4): 2499.24; (7)ACD/KOC (pH 5.5): 9413.42; (8)ACD/KOC (pH 7.4): 9413.42; (9)Polar Surface Area: 0; (10)Index of Refraction: 1.353; (11)Molar Refractivity: 41.19 cm³; (12)Molar Volume: 189.9 cm³; (13)Polarizability: 16.32×10^-24 cm³; (14)Surface Tension: 15.8 dyne/cm; (15)Density: 1.485 g/cm³; (16)Flash Point: 19.4 °C; (17)Enthalpy of Vaporization: 31.99 kJ/mol; (18)Boiling Point: 94.1 °C at 760 mmHg; (19)Vapour Pressure: 54.9 mmHg at 25°C; (20)Exact Mass: 282.009104; (21)MonoIsotopic Mass: 282.009104; (22)Topological Polar Surface Area: 0; (23)Heavy Atom Count: 18; (24)Complexity: 224.

Use of this chemical: 1,3,5-Tris(trifluoromethyl)benzene could react with oxirane to produce 2-(2,4,6-tris-trifluoromethyl-phenyl)-ethanol. This reaction could happen in the presence of the reagent of 1.6 M n-BuLi and the solvent of diethyl ether and hexane, and it needs the reaction time of 1 hour.

Production method of this chemical: benzene-1,3,5-tricarboxylic acid could react to produce 1,3,5-Tris(trifluoromethyl)benzene. This reaction could happen in the presence of the reagent of SF₄, and it needs the reaction time of 48 hours and the  reaction temp. of 170 ℃.

When you are dealing with this chemical, you should be very careful. For one thing, it is irritating to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. For another thing, it is highly flammable which may catch fire in contact with air, only needing brief contact with an ignition source, and it has a very low flash point or evolve highly flammable gases in contact with water. Therefore, you should wear suitable protective clothing and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, keep it away from sources of ignition - No smoking.
 
In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(F)(F)F
(2)InChI: InChI=1S/C9H3F9/c10-7(11,12)4-1-5(8(13,14)15)3-6(2-4)9(16,17)18/h1-3H
(3)InChIKey: ZMAUHKSOLPYPDB-UHFFFAOYSA-N