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16090-14-5

Basic Information
CAS No.: 16090-14-5
Name: Perfluoro(4-methyl-3,6-dioxaoct-7-ene)sulfonyl fluoride
Article Data: 9
Molecular Structure:
Molecular Structure of 16090-14-5 (Perfluoro(4-methyl-3,6-dioxaoct-7-ene)sulfonyl fluoride)
Formula: C7F14O4S
Molecular Weight: 446.118
Synonyms: Ethanesulfonylfluoride, 1,1,2,2-tetrafluoro-2-[1,2,2-trifluoro-1-(trifluoromethyl)-2-[(trifluorovinyl)oxy]ethoxy]-(8CI);Ethanesulfonyl fluoride,2-[1-[difluoro[(trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoro-(9CI);FS 141;Perfluoro(4-methyl-3,6-dioxaoct-7-ene)sulfonyl fluoride;Perfluoro-3,6-dioxa-4-methyl-D7-octylsulfonyl fluoride;
EINECS: 240-249-4
Density: 1.802 g/cm3
Boiling Point: 216.9 °C at 760 mmHg
Flash Point: 85 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 60.98000
LogP: 5.44130
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Specification

The Perfluoro(4-methyl-3,6-dioxaoct-7-ene)sulfonyl fluoride is an organic compound with the formula C7F14O4S. The IUPAC name of this chemical is 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyethanesulfonyl fluoride. With the CAS registry number 16090-14-5, it is also named as Ethanesulfonyl fluoride, 2-[1-[difluoro[(1,2,2-trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoro-. The product's category is Fluoromonomer.

Physical properties about Perfluoro(4-methyl-3,6-dioxaoct-7-ene)sulfonyl fluoride are: (1)ACD/LogP: 11.77; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11.77; (4)ACD/LogD (pH 7.4): 11.77; (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: 4; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 60.98 Å2; (12)Index of Refraction: 1.311; (13)Molar Refractivity: 47.91 cm3; (14)Molar Volume: 247.5 cm3; (15)Polarizability: 18.99×10-24cm3; (16)Surface Tension: 19.6 dyne/cm; (17)Density: 1.802 g/cm3; (18)Flash Point: 85 °C; (19)Enthalpy of Vaporization: 43.48 kJ/mol; (20)Boiling Point: 216.9 °C at 760 mmHg; (21)Vapour Pressure: 0.201 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, 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)OC(F)(C(F)(F)F)C(F)(F)OC(\F)=C(/F)F)S(F)(=O)=O
(2)InChI: InChI=1/C7F14O4S/c8-1(9)2(10)24-5(15,16)3(11,4(12,13)14)25-6(17,18)7(19,20)26(21,22)23
(3)InChIKey: KTCQQCLZUOZFEI-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C7F14O4S/c8-1(9)2(10)24-5(15,16)3(11,4(12,13)14)25-6(17,18)7(19,20)26(21,22)23
(5)Std. InChIKey: KTCQQCLZUOZFEI-UHFFFAOYSA-N