2,6-DICHLORO-4-(TRIFLUOROMETHYLTHIO)PHENOL

The Phenol,2,6-dichloro-4-[(trifluoromethyl)thio]-, with the CAS registry number 102794-04-7, is also known as 2,6-Dichloro-4-(Trifluoromethylthio)phenol. This chemical's molecular formula is C₇H₃Cl₂F₃OS and molecular weight is 263.06. What's more, its systematic name is 2,6-Dichloro-4-[(trifluoromethyl)sulfanyl]phenol and it belongs to the product category of Phenol &Thiophenol &Mercaptan.

Physical properties of Phenol,2,6-dichloro-4-[(trifluoromethyl)thio]- are: (1)ACD/LogP: 3.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.54; (4)ACD/LogD (pH 7.4): 2.03; (5)ACD/BCF (pH 5.5): 254.44; (6)ACD/BCF (pH 7.4): 7.94; (7)ACD/KOC (pH 5.5): 1578.16; (8)ACD/KOC (pH 7.4): 49.27; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.53 Å²; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 50.94 cm³; (15)Molar Volume: 155.9 cm³; (16)Polarizability: 20.19×10^-24 cm³; (17)Surface Tension: 47.3 dyne/cm; (18)Density: 1.68 g/cm³; (19)Flash Point: 74.1 °C; (20)Enthalpy of Vaporization: 45.29 kJ/mol; (21)Boiling Point: 198.9 °C at 760 mmHg; (22)Vapour Pressure: 0.248 mmHg at 25°C.

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 need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(cc(Cl)c1O)SC(F)(F)F
(2)InChI: InChI=1/C7H3Cl2F3OS/c8-4-1-3(14-7(10,11)12)2-5(9)6(4)13/h1-2,13H
(3)InChIKey: YVUSSTNZVQSKRE-UHFFFAOYSA-N