3,5-DIMETHYL-4-IODOPHENOL

The 3,5-Dimethyl-4-iodophenol, with the CAS registry number 80826-86-4, is also known as 4-Iodo-3 pound not5-dimethylphenol. It belongs to the product category of Chiral Chemicals. This chemical's molecular formula is C₈H₉IO and formula weight is 248.06. What's more, both its IUPAC name and systematic name are the same which is called 4-Iodo-3,5-dimethylphenol.

Physical properties about this chemical are: (1)ACD/LogP: 3.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.83; (4)ACD/LogD (pH 7.4): 3.83; (5)ACD/BCF (pH 5.5): 479.6; (6)ACD/BCF (pH 7.4): 476.6; (7)ACD/KOC (pH 5.5): 2887.81; (8) ACD/KOC (pH 7.4): 2869.71; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 50.69 cm³; (15)Molar Volume: 142.4 cm³; (16)Surface Tension: 47 dyne/cm; (17)Density: 1.74 g/cm³; (18)Meltiong Point: 129 °C; (19)Flash Point: 131 °C; (20)Enthalpy of Vaporization: 55.39 kJ/mol; (21)Boiling Point: 293 °C at 760 mmHg; (22)Vapour Pressure: 0.00101 mmHg at 25°C.

Preparation: this chemical can be prepared by 3,5-dimethyl-phenol. This reaction will need reagent KI, KIO₃, HCl and solvent methanol. The yield is about 79%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. Besides, 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. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=CC(=C1I)C)O
(2)InChI: InChI=1S/C8H9IO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3
(3)InChIKey: RMJZLNUEDDXELD-UHFFFAOYSA-N