PENTAFLUOROPHENYL SULFIDE

The Benzene,1,1'-thiobis[2,3,4,5,6-pentafluoro-, with the CAS registry number 1043-50-1, is also known as Bis(pentafluorophenyl) sulfide. Its EINECS number is 213-874-5. This chemical's molecular formula is C₁₂F₁₀S and molecular weight is 366.18. What's more, its systematic name is 1,1'-sulfanediylbis(pentafluorobenzene).

Physical properties of Benzene,1,1'-thiobis[2,3,4,5,6-pentafluoro- are: (1)ACD/LogP: 5.89; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.89; (4)ACD/LogD (pH 7.4): 5.89; (5)ACD/BCF (pH 5.5): 17772.43; (6)ACD/BCF (pH 7.4): 17772.43; (7)ACD/KOC (pH 5.5): 38331.49; (8)ACD/KOC (pH 7.4): 38331.49; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 25.3 Å²; (13)Index of Refraction: 1.486; (14)Molar Refractivity: 60.59 cm³; (15)Molar Volume: 210.8 cm³; (16)Polarizability: 24.02×10^-24cm³; (17)Surface Tension: 32.4 dyne/cm; (18)Density: 1.73 g/cm³; (19)Flash Point: 74 °C; (20)Enthalpy of Vaporization: 41.72 kJ/mol; (21)Boiling Point: 198.8 °C at 760 mmHg; (22)Vapour Pressure: 0.498 mmHg at 25°C.

Uses of Benzene,1,1'-thiobis[2,3,4,5,6-pentafluoro-: it can be used to produce bis-pentafluorophenyl sulfone at the ambient temperature. It will need reagent HOF·CH₃CN and solvent CH₂Cl₂ with the reaction time of 20 min. The yield is about 98%.

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. It may present an immediate or delayed danger to one or more components of the environment. The product is irritating to eyes, respiratory system and skin. What's more, it is very toxic to aquatic organisms, and it may cause long-term adverse effects in the aquatic environment. 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 gloves and eye/face protection. This material and its container must be disposed of as hazardous waste, so you should avoid release it to the environment. You can refer to special instructions/safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc2c(Sc1c(F)c(F)c(F)c(F)c1F)c(F)c(F)c(F)c2F
(2)Std. InChI: InChI=1S/C12F10S/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22
(3)Std. InChIKey: ZOUZMRQINDFFOK-UHFFFAOYSA-N