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| CAS No.: | 2795-39-3 |
|---|---|
| Name: | Potassium heptadecafluoro-1-octanesulfonate |
| Molecular Structure: | |
|
|
|
| Formula: | C8HF17O3S.K |
| Molecular Weight: | 538.223 |
| Synonyms: | 1-Octanesulfonicacid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, potassium salt(8CI,9CI);1-Octanesulfonic acid, heptadecafluoro-, potassium salt (6CI);Fluorad 95;Fluorad FC 95;FluortensidFT 800;Megafac F 110;Megafac F 116;Perfluorooctanesulfonic acid potassium salt;Potassium perfluorooctanesulfonate;Potassium perfluorooctylsulfonate; |
| EINECS: | 220-527-1 |
| Density: | 1.1 g/cm3 |
| Melting Point: | 277-280 °C(lit.) |
| Appearance: | White or yellowish crystalline powder |
| Hazard Symbols: |
 Xn, N, C, Xi
|
| Risk Codes: | 20/22-36/37/38-51/53-22-57 |
| Safety: | 26-61 |
| Transport Information: | UN 2811 6.1/PG 3 |
| PSA: | 65.58000 |
| LogP: | 5.57930 |
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Chemistry
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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.)
Safety Profile
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
Specification
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 .