1,2,4,5-TETRAMETHOXYBENZENE

The Benzene,1,2,4,5-tetramethoxy-, with the CAS registry number 2441-46-5, is also known as 1,2,4,5-Tmb. This chemical's molecular formula is C₁₀H₁₄O₄ and molecular weight is 198.22. What's more, its systematic name is 1,2,4,5-Tetramethoxybenzene.

Physical properties of Benzene,1,2,4,5-tetramethoxy- are: (1)ACD/LogP: 1.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.55; (4)ACD/LogD (pH 7.4): 1.55; (5)ACD/BCF (pH 5.5): 8.92; (6)ACD/BCF (pH 7.4): 8.92; (7)ACD/KOC (pH 5.5): 166.65; (8)ACD/KOC (pH 7.4): 166.65; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 36.92 Å²; (13)Index of Refraction: 1.483; (14)Molar Refractivity: 52.96 cm³; (15)Molar Volume: 185.4 cm³; (16)Polarizability: 20.99×10^-24 cm³; (17)Surface Tension: 29.9 dyne/cm; (18)Density: 1.068 g/cm³; (19)Flash Point: 112.5 °C; (20)Enthalpy of Vaporization: 49.7 kJ/mol; (21)Boiling Point: 279.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00694 mmHg at 25 °C.

Preparation: this chemical can be prepared by sulfurous acid dimethyl ester and 4,5-dimethoxy-benzene-1,2-diol at the ambient temperature. This reaction will need reagent sodium hydroxide and solvents acetone, H₂O with the reaction time of 2 hours. The yield is about 67%.

Uses of Benzene,1,2,4,5-tetramethoxy-: it can be used to produce 1,4-Bis(chloromethyl)-2,3,5,6-tetramethoxybenzene at the temperature of 60-70 °C. It will need reagents conc. hydrochloric acid, hydrogen chloride, formaldehyde and solvents dioxane, H₂O with the reaction time of 9 hours. The yield is about 56%.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1cc(OC)c(OC)cc1OC)C
(2)InChI: InChI=1/C10H14O4/c1-11-7-5-9(13-3)10(14-4)6-8(7)12-2/h5-6H,1-4H3
(3)InChIKey: JUVJUCAKSWHQEE-UHFFFAOYAD