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CAS No.: | 104729-49-9 |
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Name: | 1,1,2,2-TETRAFLUORO-2-(1,1,2,2-TETRAFLUOROETHOXY)ETHANESULPHONYL FLUORIDE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C4HF9O3S |
Molecular Weight: | 300.10 |
Synonyms: | 5H-3-Oxa-octafluoropentanosulfonylfluoride; |
Density: | 1.749 g/cm3 |
Boiling Point: | 132.2 °C at 760 mmHg |
Flash Point: | 33.8 °C |
Hazard Symbols: | T |
Risk Codes: | T:; "> T:; |
PSA: | 51.75000 |
LogP: | 3.42660 |
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This chemical is called Ethanesulfonylfluoride, 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)-, and its systematic name is 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonyl fluoride. With the molecular formula of C4HF9O3S, its molecular weight is 300.10. The CAS registry number of this chemical is 104729-49-9.
Other characteristics of the can be summarised as followings: (1)ACD/LogP: 6.25; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.25; (4)ACD/LogD (pH 7.4): 6.25; (5)ACD/BCF (pH 5.5): 33169.04; (6)ACD/BCF (pH 7.4): 33169.04; (7)ACD/KOC (pH 5.5): 59913.47; (8)ACD/KOC (pH 7.4): 59913.47; (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: 1.301; (14)Molar Refractivity: 32.19 cm3; (15)Molar Volume: 171.5 cm3; (16)Polarizability: 12.76×10-24cm3; (17)Surface Tension: 19.9 dyne/cm; (18)Density: 1.749 g/cm3; (19)Flash Point: 33.8 °C; (20)Enthalpy of Vaporization: 35.45 kJ/mol; (21)Boiling Point: 132.2 °C at 760 mmHg; (22)Vapour Pressure: 11 mmHg at 25°C.
Uses of this chemical: The 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-ethoxy)-ethanesulfonyl azide could react with to obtain the Ethanesulfonylfluoride, 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)-. This reaction needs the reagent of NaN3, and the solvent of methanol. The yield is 82 %. In addition, this reaction should be taken for 8 hours at the temperature of 20 °C.
You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(C(F)(F)OC(F)(F)C(F)F)S(F)(=O)=O
2.InChI: InChI=1/C4HF9O3S/c5-1(6)2(7,8)16-3(9,10)4(11,12)17(13,14)15/h1H
3.InChIKey: XLXYXEHVIIRCGY-UHFFFAOYAI