HEXAFLUORO-2-(P-TOLYL)ISOPROPANOL

The Benzenemethanol,4-methyl-a,a-bis(trifluoromethyl)-, with the CAS registry number 2010-61-9, is also known as 1,1,1,3,3,3-Hexafluoro-2-p-tolyl-2-propanol. This chemical's molecular formula is C₁₀H₈F₆O and molecular weight is 258.16. What's more, its systematic name is 1,1,1,3,3,3-Hexafluoro-2-(4-methylphenyl)propan-2-ol and its EINECS number is 217-928-9. The product should be sealed and stored in containers with dry inert gas which are placed in cool and dry places. It should be ensured that the workshop is well ventilated or equipped with exhaust device and it should be protected from oxidizers.

Physical properties of Benzenemethanol,4-methyl-a,a-bis(trifluoromethyl)- are: (1)ACD/LogP: 4.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.24; (4)ACD/LogD (pH 7.4): 4.24; (5)ACD/BCF (pH 5.5): 988.49; (6)ACD/BCF (pH 7.4): 978.16; (7)ACD/KOC (pH 5.5): 4846.01; (8)ACD/KOC (pH 7.4): 4795.39; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.421; (14)Molar Refractivity: 47.28 cm³; (15)Molar Volume: 186.1 cm³; (16)Polarizability: 18.74×10^-24 cm³; (17)Surface Tension: 25.1 dyne/cm; (18)Density: 1.386 g/cm³; (19)Flash Point: 99.9 °C; (20)Enthalpy of Vaporization: 50.57 kJ/mol; (21)Boiling Point: 241.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0192 mmHg at 25°C.

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

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)O
(2)InChI: InChI=1S/C10H8F6O/c1-6-2-4-7(5-3-6)8(17,9(11,12)13)10(14,15)16/h2-5,17H,1H3
(3)InChIKey: AOAVZPXKNQAALI-UHFFFAOYSA-N