4-BROMO-2,3,5,6-TETRAFLUOROBENZOTRIFLUORIDE

The Benzene,1-bromo-2,3,5,6-tetrafluoro-4-(trifluoromethyl)-, with the CAS registry number 17823-46-0, has the systematic name of 1-bromo-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene. It is a kind of clear colorless liquid, and belongs to the following product categories: Aryl; C7; Halogenated Hydrocarbons. And the molecular formula of the chemical is C₇BrF₇.

The characteristics of Benzene,1-bromo-2,3,5,6-tetrafluoro-4-(trifluoromethyl)- are as followings: (1)ACD/LogP: 3.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.08; (4)ACD/LogD (pH 7.4): 3.08; (5)ACD/BCF (pH 5.5): 129.75; (6)ACD/BCF (pH 7.4): 129.75; (7)ACD/KOC (pH 5.5): 1132.83; (8)ACD/KOC (pH 7.4): 1132.83; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.413; (14)Molar Refractivity: 38.89 cm³; (15)Molar Volume: 155.9 cm³; (16)Polarizability: 15.42×10^-24cm³; (17)Surface Tension: 23.5 dyne/cm; (18)Density: 1.904 g/cm³; (19)Flash Point: 62.8 °C; (20)Enthalpy of Vaporization: 37.33 kJ/mol; (21)Boiling Point: 152.5 °C at 760 mmHg; (22)Vapour Pressure: 4.46 mmHg at 25°C.

Uses of Benzene,1-bromo-2,3,5,6-tetrafluoro-4-(trifluoromethyl)-: It can be used to produce a,a,a,2,3,5,6-heptafluoro-toluene. This reaction will need reagent P(NEt₂)₃ and H₂O, and the menstruum dimethylformamide. The reaction time is 15 minutes with temperature of 20°C, and the yield is about 77%. 

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1c(c(F)c(F)c(Br)c1F)C(F)(F)F
(2)InChI: InChI=1/C7BrF7/c8-2-5(11)3(9)1(7(13,14)15)4(10)6(2)12
(3)InChIKey: DONVNRFILRLHJB-UHFFFAOYAZ