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29457-72-5

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Basic Information
CAS No.: 29457-72-5
Name: HEPTADECAFLUORO-1-OCTANESULFONIC ACID LITHIUM SALT
Molecular Structure:
Molecular Structure of 29457-72-5 (HEPTADECAFLUORO-1-OCTANESULFONIC ACID LITHIUM SALT)
Formula: C8H F17 O3 S . Li
Molecular Weight: 506.066
Synonyms: 1-Octanesulfonicacid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, lithium salt(8CI,9CI);FT 208;Fluorad FC 94;Lithium (perfluorooctane)sulfonate;Lithium(perfluorooctyl)sulfonate;Lithium perfluoro-1-octanesulfonate;Perfluorooctanesulfonic acid lithium salt;
EINECS: 249-644-6
Melting Point: 308oC
Hazard Symbols:
Risk Codes: 36/37/38
Safety: Experimental reproductive effects. When heated to decomposition it emits toxic vapors of SOx, Li, and F−.
PSA: 65.58000
LogP: 5.57930
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Chemistry

Molecular Structure of Lithium perfluorooctane sulfonate (CAS NO. 29457-72-5):

EINECS: 249-644-6
IUPAC Name: Lithium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate 
Molecular Formula: C8F17LiO3S
Molecular Weight: 506.062654 g/mol
H-Bond Donor: 0
H-Bond Acceptor: 20
Canonical SMILES: [Li+].C(C(C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI: InChI=1S/C8HF17O3S.Li/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
InChIKey: XVCUGNWRDDNCRD-UHFFFAOYSA-M
Polar Surface Area: 62.75 Å2
Refractive Index: n20/D 1.334

Safety Profile

Safety Information of Lithium perfluorooctane sulfonate (CAS NO. 29457-72-5):
Hazard Codes: Xi Irritant
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36:Wear suitable protective clothing
RTECS: RG9701750
Experimental reproductive effects. When heated to decomposition it emits toxic vapors of SOx, Li, and F−.

Specification

  Lithium perfluorooctane sulfonate with cas registry number of 29457-72-5 is also known as FT 208 ; Fluorad FC 94 ; HSDB 7254 ; LPOS ; Lithium (perfluorooctane)sulfonate ; Lithium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-1-octanesulfonate ; Lithium PFOS ; Lithium perfluoro-1-octanesulfonate ; Lithium perfluorooctane sulfonate ; Lithium perfluorooctanesulfonate ; Lithium heptadecafluorooctanesulphonate ; 1-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, lithium salt ; 1-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, lithium salt (1:1) .