2,5-DIMETHYL-4-IODOPHENOL

The Phenol,4-iodo-2,5-dimethyl-, with its CAS registry number 114971-53-8, has the systematic name of 4-iodo-2,5-dimethylpheno. Besides, this chemical has the molecular foumula of C₈H₉IO and the molecular weight of 248.06. In addition, this chemical is sensitive to light. When store it, you should keep it in the cool, dry and well-ventilated place, away from the strong oxidizer.

The characteristics of Phenol,4-iodo-2,5-dimethyl- are as follows: (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): 479.62; (6)ACD/BCF (pH 7.4): 477.86; (7)ACD/KOC (pH 5.5): 2887.91; (8)ACD/KOC (pH 7.4): 2877.31; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 50.69 cm³; (15)Molar Volume: 142.4 cm³; (16)Polarizability: 20.09×10^-24cm³; (17)Surface Tension: 47 dyne/cm; (18)Density: 1.74 g/cm³; (19)Flash Point: 126.1 °C; (20)Enthalpy of Vaporization: 54.49 kJ/mol; (21)Boiling Point: 284.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00168 mmHg at 25°C.

Production method of this chemical: 2,5-dimethyl-phenol could react to produce Phenol,4-iodo-2,5-dimethyl-. And this reaction could happen with the reagent of benzyltrimethylammonium dichloroiodate(1-), CaCO₃ and the solvent of CH₂Cl₂ & methanol in the ambient temperature for 4 hours.

When you are using this chemical, you should be careful. For being irritating to eyes, respiratory system and skin, this chemical may cause inflammation to the skin or other mucous. Therefore, you should wear suitable protective clothing, gloves and eye/face protection, and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:Ic1c(cc(O)c(c1)C)C
(2)InChI:InChI=1/C8H9IO/c1-5-4-8(10)6(2)3-7(5)9/h3-4,10H,1-2H3
(3)InChIKey:RFAXNKKOQUYDKE-UHFFFAOYAM
(4)Std. InChI:InChI=1S/C8H9IO/c1-5-4-8(10)6(2)3-7(5)9/h3-4,10H,1-2H3
(5)Std. InChIKey:RFAXNKKOQUYDKE-UHFFFAOYSA-N