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67990-76-5

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Basic Information
CAS No.: 67990-76-5
Name: 1,1,2,2-TETRAFLUORO-2-(1,1,2,2,3,3,4,4-OCTAFLUORO-4-IODOBUTOXY)ETHANESULFONYL FLUORIDE
Article Data: 5
Molecular Structure:
Molecular Structure of 67990-76-5 (1,1,2,2-TETRAFLUORO-2-(1,1,2,2,3,3,4,4-OCTAFLUORO-4-IODOBUTOXY)ETHANESULFONYL FLUORIDE)
Formula: C6F13IO3S
Molecular Weight: 526.014
Synonyms: 2-(4-Iodo-octafluorobutoxy)-1,1,2,2-tetrafluoroethanesulfonylfluoride;
Density: 2.148 g/cm3
Boiling Point: 200.128 °C at 760 mmHg
Flash Point: 74.835 °C
PSA: 51.75000
LogP: 5.45990
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  • 1,1,2,2-TETRAFLUORO-2-(1,1,2,2,3,3,4,4-OCTAFLUORO-4-IODOBUTOXY)ETHANESULFONYL FLUORIDE

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    1,1,2,2-TETRAFLUORO-2-(1,1,2,2,3,3,4,4-OCTAFLUORO-4-IODOBUTOXY)ETHANESULFONYL FLUORIDE

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Specification

This chemical is called Ethanesulfonyl fluoride,1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4-octafluoro-4-iodobutoxy)-, and its systematic name is 1,1,2,2-Tetrafluoro-2-(1,1,2,2,3,3,4,4-octafluoro-4-iodobutoxy)ethanesulfonyl fluoride. With the molecular formula of C6F13IO3S, its molecular weight is 526.01. The CAS registry number of the chemical is 67990-76-5. 

Other characteristics of Ethanesulfonyl fluoride,1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4-octafluoro-4-iodobutoxy)- can be summarised as followings: (1)ACD/LogP: 7.57; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 12; (4)ACD/LogD (pH 7.4): 12; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 51.75 Å2; (13)Index of Refraction: 1.366; (14)Molar Refractivity: 54.911 cm3; (15)Molar Volume: 244.907 cm3; (16)Polarizability: 21.768×10-24cm3; (17)Surface Tension: 23.964 dyne/cm; (18)Density: 2.148 g/cm3; (19)Flash Point: 74.835 °C; (20)Enthalpy of Vaporization: 41.85 kJ/mol; (21)Boiling Point: 200.128 °C at 760 mmHg; (22)Vapour Pressure: 0.466 mmHg at 25°C.

Uses of this chemical: The Ethanesulfonyl fluoride,1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4-octafluoro-4-iodobutoxy)- could react with Oct-1-ene to obtain the 1,1,2,2-Tetrafluoro-2-(1,1,2,2,3,3,4,4-octafluoro-6-iodo-dodecyloxy)-ethanesulfonyl fluoride. This reaction needs the Catalyst of Cu-powder, and the solvent of Acetic anhydride. The yield is 61 %. In addition, this reaction should be taken for 6.5 hours at the temperature of 100°C.

The Ethanesulfonyl fluoride,1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4-octafluoro-4-iodobutoxy)- could react with Oct-1-ene to obtain the 1,1,2,2-Tetrafluoro-2-(1,1,2,2,3,3,4,4-octafluoro-6-iodo-dodecyloxy)-ethanesulfonyl fluorideThe Ethanesulfonyl fluoride,1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4-octafluoro-4-iodobutoxy)- could react with Oct-1-ene to obtain the 1,1,2,2-Tetrafluoro-2-(1,1,2,2,3,3,4,4-octafluoro-6-iodo-dodecyloxy)-ethanesulfonyl fluoride

You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)I)S(F)(=O)=O
2.InChI: InChI=1/C6F13IO3S/c7-1(8,3(11,12)20)2(9,10)4(13,14)23-5(15,16)6(17,18)24(19,21)22
3.InChIKey: LEWYCBRUDUVOLG-UHFFFAOYAR
4.Std. InChI: InChI=1S/C6F13IO3S/c7-1(8,3(11,12)20)2(9,10)4(13,14)23-5(15,16)6(17,18)24(19,21)22
5.Std. InChIKey: LEWYCBRUDUVOLG-UHFFFAOYSA-N