4-Iodo-1,2-dimethylbenzene

The Benzene,4-iodo-1,2-dimethyl- , with the CAS registry number 31599-61-8, is also known as 4-Iodo-1,2-dimethylbenzene. It belongs to the product categories of Aromatic Hydrocarbons (substituted) & Derivatives; Iodine Compounds. This chemical's molecular formula is C₈H₉I and formula weight is 232.06. What's more, its IUPAC name is 4-iodo-1,2-dimethylbenzene. 

Physical properties of Benzene,4-iodo-1,2-dimethyl- are: (1)ACD/LogP: 4.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.17; (4)ACD/LogD (pH 7.4): 4.17; (5)ACD/BCF (pH 5.5): 869.59; (6)ACD/BCF (pH 7.4): 869.59; (7)ACD/KOC (pH 5.5): 4421.44; (8)ACD/KOC (pH 7.4): 4421.44; (9)Index of Refraction: 1.592; (10)Molar Refractivity: 48.8 cm³; (11)Molar Volume: 144 cm³; (12)Surface Tension: 38.2 dyne/cm; (13)Density: 1.61 g/cm³; (14)Flash Point: 100.5 °C; (15)Enthalpy of Vaporization: 44.98 kJ/mol; (16)Boiling Point: 232.1 °C at 760 mmHg; (17)Vapour Pressure: 0.0912 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,2-dimethyl-benzene at the temperature of 20°C. This reaction will need reagent Oxone, potassium iodide and solvent methanol with the reaction time of 24 hours. The yield is about 73%.

Uses of Benzene,4-iodo-1,2-dimethyl-: it can be used to produce 3,4,3',4'-Tetramethyl-biphenyl at the temperature of 140°C. It will need reagent nickel powder and solvent dimethylformamide with the reaction time of 23 hours. The yield is about 70%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you should wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=C(C=C1)I)C
(2)InChI: InChI=1S/C8H9I/c1-6-3-4-8(9)5-7(6)2/h3-5H,1-2H3
(3)InChIKey: CSFRCLYFVINMBZ-UHFFFAOYSA-N