2,3,5,6-Tetramethyliodobenzene

The 2,3,5,6-Tetramethyliodobenzene, with the CAS registry number 2100-25-6, is also known as 1-Iodo-2,3,5,6-tetramethylbenzene. Its EINECS registry number is 218-266-3. This chemical's molecular formula is C₁₀H₁₃I and molecular weight is 260.11. What's more, both its IUPAC name and systematic name are the same which is called 3-Iodo-1,2,4,5-tetramethylbenzene. In addition, it is white fine crystalline powder.

Physical properties about this chemical are: (1) ACD/LogP: 5.09; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): 5.09; (4) ACD/LogD (pH 7.4): 5.09; (5) ACD/BCF (pH 5.5): 4351.44; (6) ACD/BCF (pH 7.4): 4351.44; (7) ACD/KOC (pH 5.5): 13999.97; (8) ACD/KOC (pH 7.4): 13999.97; (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: 1.576; (14) Molar Refractivity: 58.45 cm³; (15) Molar Volume: 176.6 cm³; (16) Surface Tension: 36.2 dyne/cm; (17) Density: 1.472 g/cm³; (18) Flash Point: 122 °C; (19) Enthalpy of Vaporization: 49.2 kJ/mol; (20) Boiling Point: 274.2 °C at 760 mmHg; (21) Vapour Pressure: 0.00915 mmHg at 25 °C; (22) Melting Point: 78-82 °C.

Preparation of 2,3,5,6-Tetramethyliodobenzene: this chemical is prepared by reaction of 1,2,4,5-Tetramethyl-benzene.



This reaction needs reagent I₂, H₅IO₆, H₂SO₄ and solvent Acetic acid, H₂O at temperature of 65 °C. The yield is 79 %.

Uses of 2,3,5,6-Tetramethyliodobenzene: it is used to produce other chemicals. For example, it is used to produce Thiobenzoic acid 2,3,5,6-tetramethyl-phenyl ester.

The reaction occurs with reagent Hexamethylphosphoric acid triamide and at temperature of 100-110 °C for 2 hours. The yield is 91 %.

When you are dealing with 2,3,5,6-Tetramethyliodobenzene, you should be very careful. You must avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: Ic1c(c(cc(c1C)C)C)C
(2) InChI: InChI=1/C10H13I/c1-6-5-7(2)9(4)10(11)8(6)3/h5H,1-4H3
(3) InChIKey: MCRSYYLHVQGFNR-UHFFFAOYAQ