2,3,5,6-TETRAFLUOROTOLUENE

The Benzene,1,2,4,5-tetrafluoro-3-methyl-, with CAS registry number 5230-78-4, belongs to the following product categories: (1)Halogen toluene; (2)Aryl; (3)C7; (4)Halogenated Hydrocarbons. It has the systematic name of 1,2,4,5-tetrafluoro-3-methylbenzene. This chemical is a kind of colorless to light yellow liquid. And the chemical formula of this chemical is C₇H₄F₄. What's more, its EINECS is 226-028-5.

Physical properties of Benzene,1,2,4,5-tetrafluoro-3-methyl-: (1)ACD/LogP: 2.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.92; (4)ACD/LogD (pH 7.4): 2.92; (5)ACD/BCF (pH 5.5): 96.82; (6)ACD/BCF (pH 7.4): 96.82; (7)ACD/KOC (pH 5.5): 918.66; (8)ACD/KOC (pH 7.4): 918.66; (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: 1.42; (14)Molar Refractivity: 31.05 cm3; (15)Molar Volume: 122.5 cm³; (16)Polarizability: 12.31×10^-24cm³; (17)Surface Tension: 24.7 dyne/cm; (18)Density: 1.339 g/cm³; (19)Flash Point: 23.3 °C; (20)Enthalpy of Vaporization: 34.48 kJ/mol; (21)Boiling Point: 121.6 °C at 760 mmHg; (22)Vapour Pressure: 17.4 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-chloro-2,3,5,6-tetrafluoro-4-trichloromethyl-benzene. This reaction will need reagents zinc, conc. hydrochloric acid and solvents dimethylformamide, H₂O. The reaction time is 8 hour(s) with reaction temperature of 55 ℃. The yield is about 78%.

When you are using this chemical, please be cautious about it as the following:
The Benzene,1,2,4,5-tetrafluoro-3-methyl- is flammable, so keep it away from sources of ignition. This chemical is also harmful by inhalation, in contact with skin and if swallowed. And it irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: Fc1c(c(F)c(F)cc1F)C
(2)InChI: InChI=1/C7H4F4/c1-3-6(10)4(8)2-5(9)7(3)11/h2H,1H3
(3)InChIKey: POMGTQLCZJZYAM-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C7H4F4/c1-3-6(10)4(8)2-5(9)7(3)11/h2H,1H3
(5)Std. InChIKey: POMGTQLCZJZYAM-UHFFFAOYSA-N