ALPHA,ALPHA,2-TRICHLORO-6-FLUOROTOLUENE

This chemical is called Benzene, 1-chloro-2-(dichloromethyl)-3-fluoro-, and its systematic name is 1-Chloro-2-(dichloromethyl)-3-fluorobenzene. With the molecular formula of C₇H₄Cl₃F, its molecular weight is 179.02. The CAS registry number of this chemical is 62476-62-4.

Other characteristics of the Benzene, 1-chloro-2-(dichloromethyl)-3-fluoro- can be summarised as followings: (1)ACD/LogP: 2.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.85; (4)ACD/LogD (pH 7.4): 2.85; (5)ACD/BCF (pH 5.5): 86.61; (6)ACD/BCF (pH 7.4): 86.61; (7)ACD/KOC (pH 5.5): 848.28; (8)ACD/KOC (pH 7.4): 848.28; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 45.75 cm³; (15)Molar Volume: 145.4 cm³; (16)Polarizability: 18.14×10^-24cm³; (17)Surface Tension: 38.6 dyne/cm; (18)Density: 1.467 g/cm³; (19)Flash Point: 99.7 °C; (20)Enthalpy of Vaporization: 44.32 kJ/mol; (21)Boiling Point: 225.4 °C at 760 mmHg; (22)Vapour Pressure: 0.129 mmHg at 25°C.

Production method of this chemical: The Benzene, 1-chloro-2-(dichloromethyl)-3-fluoro- could be obtained by the reactant of 1-chloro-3-fluoro-2-trichloromethyl-benzene. This reaction needs the reagent of thiophenol, and the catalyst of CuBr. The yield is 78 %. In addition, this reaction should be taken for 10 hours at the temperature of 120 °C.

Uses of this chemical: The 2-chloro-6-fluoro-toluene could be obtained by the reactant of Benzene, 1-chloro-2-(dichloromethyl)-3-fluoro-. This reaction needs the reagent of Mg. The yield is 58 %. This reaction should be taken at the temperature of 600 °C.

You can still convert the following datas into molecular structure: 
1.SMILES: ClC(Cl)c1c(F)cccc1Cl
2.InChI: InChI=1/C7H4Cl3F/c8-4-2-1-3-5(11)6(4)7(9)10/h1-3,7H
3.InChIKey: LQIXIKRJISFVEC-UHFFFAOYAR