Potassium heptadecafluoro-1-octanesulfonate

 
IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctane-1-sulfonic acid; potassium
Molecular Formula: C₈HF₁₇KO₃S
Molecular Weight: 538.22 g/mol
Canonical SMILES: S(=O)(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[K+]
InChI: InChI=1/C8HF17O3S.K/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;/h(H,26,27,28);/q;+1/p-1
EINECS: 220-527-1
Classification Code: TSCA Flag S [Substance is identified in a proposed or final SNUR (Significant New Use Rule) under TSCA]
Product Categories: Organics; Fluorochemical Surfactants; Fluorous Chemistry; Fluorous Compounds; Functional Materials; Surfactants; Synthetic Organic Chemistry
H-Bond Donor: 1
H-Bond Acceptor: 20
Rotatable Bond Count: 7
Exact Mass: 538.901201
MonoIsotopic Mass: 538.901201
Topological Polar Surface Area: 54.4
Heavy Atom Count: 30
Complexity: 727
Index of Refraction: 1.304
Molar Refractivity: 51.53 cm³
Molar Volume: 272.1 cm³
Polarizability: 20.42×10^-24cm³
Surface Tension: 19.6 dyne/cm
Density: 1.837 g/cm³
Melting Point of Potassium heptadecafluoro-1-octanesulfonate (CAS NO.2795-39-3): 277-280 °C(lit.)

Hazard Codes: Xn,N,C,Xi
Risk Statements: 20/22-36/37/38-51/53-22-57
R20/22: Harmful by inhalation and if swallowed. 
R36/37/38: Irritating to eyes, respiratory system and skin. 
R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 
R22: Harmful if swallowed. 
R57: Toxic to bees.
Safety Statements: 26-61 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S61: Avoid release to the environment. Refer to special instructions / safety data sheets.
WGK Germany: 3
Hazard Note: Corrosive
HazardClass of Potassium heptadecafluoro-1-octanesulfonate (CAS NO.2795-39-3): Irritant

  Potassium heptadecafluoro-1-octanesulfonate (CAS NO.2795-39-3), its Synonyms are 1-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, potassium salt ; 1-Octanesulfonic acid,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-
heptadecafluoro-, potassium salt (1:1) ; 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonic acid, potassium salt ; 1-Octanesulfonic acid, heptadecafluoro-, potassium salt ; Heptadecafluorooctanesulfonic acid, potassium salt ; Perfluorooctanesulfonic acid, potassium salt ; Potassium PFOS ; Potassium heptadecafluorooctane-1-sulfonate ; Potassium heptadecafluorooctane-1-sulphonate .