BIS(3-FLUOROPHENYL)DISULFIDE

The IUPAC name of 3,3'-Difluorodiphenyl disulfide is 1-fluoro-3-[(3-fluorophenyl)disulfanyl]benzene. With the CAS registry number 63930-17-6, it is also named as Bis(3-fluorophenyl)disulfide. It is yellow or colorless liquid, which should be stored in sealed containers in a cool, dry place away from oxidizing agents. In addition, its molecular formula is C₁₂H₈F₂S₂ and molecular weight is 254.32.

The other characteristics of 3,3'-Difluorodiphenyl disulfide can be summarized as: (1)ACD/LogP: 4.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.49; (4)ACD/LogD (pH 7.4): 4.49; (5)ACD/BCF (pH 5.5): 1509.82; (6)ACD/BCF (pH 7.4): 1509.82; (7)ACD/KOC (pH 5.5): 6562.56; (8)ACD/KOC (pH 7.4): 6562.56; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 50.6 Å²; (13)Index of Refraction: 1.639; (14)Molar Refractivity: 67.71 cm³; (15)Molar Volume: 188 cm³; (16)Polarizability: 26.84×10^-24cm³; (17)Surface Tension: 48.7 dyne/cm; (18)Density: 1.35 g/cm³; (19)Flash Point: 141.9 °C; (20)Enthalpy of Vaporization: 52.99 kJ/mol; (21)Boiling Point: 311 °C at 760 mmHg; (22)Vapour Pressure: 0.00106 mmHg at 25 °C.

Preparation of 3,3'-Difluorodiphenyl disulfide: this chemical can be prepared by m-fluorobenzenethiol.



This reaction needs sodium perborate, methanol and H₂O at ambient temperature for 2 hours. The yield is 96 %.

When you are using this chemical, please be cautious about it as the following: it is harmful if swallowed. Please do not breathe vapour. And you should wear suitable protective clothing and gloves.

People can use the following data to convert to the molecule structure.
(1)SMILES: Fc2cccc(SSc1cccc(F)c1)c2
(2)InChI: InChI=1/C12H8F2S2/c13-9-3-1-5-11(7-9)15-16-12-6-2-4-10(14)8-12/h1-8H
(3)InChIKey: LFVFHTBHAIVNJQ-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C12H8F2S2/c13-9-3-1-5-11(7-9)15-16-12-6-2-4-10(14)8-12/h1-8H
(5)Std. InChIKey: LFVFHTBHAIVNJQ-UHFFFAOYSA-N