ALPHA,ALPHA,2,4-TETRACHLOROTOLUENE

The Benzene, 2, 4-dichloro-1-(dichloromethyl)-, with the CAS registry number 134-25-8, is also known as alpha, alpha, 2, 4-Tetrachlorotoluene. And its EINECS registry number is 205-134-5. This chemical's molecular formula is C₇H₄Cl₄ and molecular weight is 229.92. What's more, its IUPAC name is 2, 4-Dichloro-1-(dichloromethyl)benzene.

Physical properties about Benzene, 2, 4-dichloro-1-(dichloromethyl)- are: (1)ACD/LogP: 3.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.85; (4)ACD/LogD (pH 7.4): 3.85; (5)ACD/BCF (pH 5.5): 495.78; (6)ACD/BCF (pH 7.4): 495.78; (7)ACD/KOC (pH 5.5): 2957.25; (8)ACD/KOC (pH 7.4): 2957.25; (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: 1.575; (14)Molar Refractivity: 50.66 cm³; (15)Molar Volume: 153.1 cm³; (16)Polarizability: 20.08×10^-24 cm³; (17)Surface Tension: 42.6 dyne/cm; (18)Density: 1.501 g/cm³; (19)Flash Point: 123.4 °C; (20)Enthalpy of Vaporization: 49.17 kJ/mol; (21)Boiling Point: 273.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00932 mmHg at 25 °C.

Preparation of Benzene, 2, 4-dichloro-1-(dichloromethyl)-: this chemical is prepared by reaction of 2, 4-Dichlorotoluene with Chlorine. This reaction needs catalyst PCl₃. And the reaction temperature is 120 °C. Other condition of this reaction is illumination.

Uses of Benzene, 2, 4-dichloro-1-(dichloromethyl)-: 1.) it is the intermediate of 2, 4-Dichlorobenzaldehyde; 2.) it can be used in the production of fungicide diniconazole; 3.) it is used to produce other chemicals. For example, it is used to produce trans-2, 2', 4, 4'-Tetrachlorostilbene. This reaction needs reagents Me₄SiCl₂ and Pd(PPh₃)₄. Meanwhile, it needs solvent 1, 3, 5-Trimethyl-benzene. The reaction time is 3 hours with reaction temperature of 130 °C. The yield is about 95 % Chromat.

You can still convert the following datas into molecular structure:
(1) SMILES: ClC(Cl)c1ccc(Cl)cc1Cl
(2) InChI: InChI=1/C7H4Cl4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,7H
(3) InChIKey: AQVKVGOTPBBVMS-UHFFFAOYAW