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| CAS No.: | 13634-93-0 |
|---|---|
| Name: | 4-CHLORO-TETRAFLUOROTHIOPHENOL |
| Molecular Structure: | |
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| Formula: | C6HClF4S |
| Molecular Weight: | 216.587 |
| Synonyms: | 4-Chlorotetrafluorothiophenol; |
| Density: | 1.655 g/cm3 |
| Melting Point: | 47-52 °C |
| Boiling Point: | 189 °C at 760 mmHg |
| Flash Point: | 68.1 °C |
| Appearance: | light beige-pink crystals and flakes |
| Safety: | 24/25 |
| PSA: | 38.80000 |
| LogP: | 3.18510 |
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Specification
The Benzenethiol,4-chloro-2,3,5,6-tetrafluoro-, with the CAS registry number 13634-93-0, is also known as 4-Chlorotetrafluorothiophenol. It belongs to the product category of Phenol&Thiophenol&Mercaptan. This chemical's molecular formula is C6HClF4S and molecular weight is 216.5838. What's more, its systematic name is called 4-Chloro-2,3,5,6-tetrafluorobenzenethiol.
Physical properties about this chemical are: (1)ACD/LogP: 3.22; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.11; (4)ACD/LogD (pH 7.4): 0.12; (5)ACD/BCF (pH 5.5): 1.27; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 10.36; (8)ACD/KOC (pH 7.4): 1.07; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.3 Å2; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 39.29 cm3; (15)Molar Volume: 130.8 cm3; (16)Polarizability: 15.57×10-24 cm3; (17)Surface Tension: 35.8 dyne/cm; (18)Density: 1.655 g/cm3; (19)Flash Point: 68.1 °C; (20)Enthalpy of Vaporization: 40.78 kJ/mol; (21)Boiling Point: 189 °C at 760 mmHg; (22)Vapour Pressure: 0.806 mmHg at 25 °C; (23)Melting Point: 47-52 °C.
Uses of Benzenethiol,4-chloro-2,3,5,6-tetrafluoro-: it is used to produce other chemicals. For example, it is used to produce 1-Phenylthio-4-chloro-tetrafluoro-benzene.
The reaction needs reagent SbF5 intercalated in graphite. This reaction will occur at temperature of 80 °C for 10 hours. The yield is 68 %.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes and skin. Therefore, you should avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(S)c(F)c(F)c(Cl)c1F
(2) InChI: InChI=1/C6HClF4S/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
(3) InChIKey: UXQKSGKKWOHQPO-UHFFFAOYAA