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| CAS No.: | 786-31-2 |
|---|---|
| Name: | 2,2,3,3-TETRAFLUOROPROPYL 4-TOLUENESULFONATE |
| Molecular Structure: | |
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| Formula: | C10H10F4O3S |
| Molecular Weight: | 286.247 |
| Synonyms: | 1-Propanol,2,2,3,3-tetrafluoro-, 4-methylbenzenesulfonate (9CI);1-Propanol,2,2,3,3-tetrafluoro-, p-toluenesulfonate (7CI,8CI);2,2,3,3-Tetrafluoropropylp-toluenesulfonate;2,2,3,3-Tetrafluoropropyl tosylate; |
| Density: | 1.369 g/cm3 |
| Melting Point: | 13-16 °C |
| Boiling Point: | 341.1 °C at 760 mmHg |
| Flash Point: | 160.1 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 51.75000 |
| LogP: | 3.68150 |
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Specification
The 2,2,3,3-Tetrafluoropropyl tosylate, with the CAS registry number 786-31-2, is also known as 2,2,3,3-Tetrafluoropropyl 4-toluenesulfonate. This chemical's molecular formula is C10H10F4O3S and molecular weight is 286.24. What's more, both its IUPAC name and systematic name are the same which is called 2,2,3,3-Tetrafluoropropyl 4-methylbenzenesulfonate.
Physical properties about 2,2,3,3-Tetrafluoropropyl tosylate are: (1)ACD/LogP: 2.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.71; (4)ACD/LogD (pH 7.4): 2.71; (5)ACD/BCF (pH 5.5): 67.18; (6)ACD/BCF (pH 7.4): 67.18; (7)ACD/KOC (pH 5.5): 707.21; (8)ACD/KOC (pH 7.4): 707.21; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 51.75 Å2; (13)Index of Refraction: 1.45; (14)Molar Refractivity: 56.28 cm3; (15)Molar Volume: 209 cm3; (16)Surface Tension: 30.8 dyne/cm; (17)Density: 1.369 g/cm3; (18)Flash Point: 160.1 °C; (19)Enthalpy of Vaporization: 56.16 kJ/mol; (20)Boiling Point: 341.1 °C at 760 mmHg; (21)Vapour Pressure: 0.000162 mmHg at 25 °C; (22)Melting Point: 13-16 °C.
Preparation of 2,2,3,3-Tetrafluoropropyl tosylate: this chemical can be prepared by Toluene-4-sulfonyl chloride with 2,2,3,3-Tetrafluoro-propan-1-ol. This reaction needs reagent KOH and solvent Benzene at temperature of 80 °C. The reaction time is 1 hour. The yield is 87 %.
Uses of 2,2,3,3-Tetrafluoropropyl tosylate: it is used to produce other chemicals. For example, it is used to produce 3-Bromo-1,1,2,2-tetrafluoro-propane. The reaction occurs with reagent KBr and solvent Bis-(2-hydroxy-ethyl) ether at temperature of 170 °C.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)C(F)(F)COS(=O)(=O)c1ccc(cc1)C
(2) InChI: InChI=1/C10H10F4O3S/c1-7-2-4-8(5-3-7)18(15,16)17-6-10(13,14)9(11)12/h2-5,9H,6H2,1H3
(3) InChIKey: IMDNPHAMGJIKNV-UHFFFAOYAQ