Sodium 1H,1H,2H,2H-Perfluorohexane Sulfonate - CAS 27619-93-8

Catalog:	BB057782
Product Name:	Sodium 1H,1H,2H,2H-Perfluorohexane Sulfonate
CAS:	27619-93-8
Synonyms:	3,3,4,4,5,5,6,6,6-Nonafluoro-1-hexanesulfonic Acid Sodium Salt; 4:2 FTS

Technical Data

IUPAC Name:	sodium3,3,4,4,5,5,6,6,6-nonafluorohexane-1-sulfonate
Description:	Sodium 1H,1H,2H,2H-Perfluorohexane Sulfonate is a compound that can be synthesized from 1H,1H,2H,2H-Perfluorohexyl Iodide (2043-55-2).
Molecular Weight:	350.13
Molecular Formula:	C6H4F9NaO3S
Canonical SMILES:	C(CS(=O)(=O)[O-])C(C(C(C(F)(F)F)(F)F)(F)F)(F)F.[Na+]
InChI:	InChI=1S/C6H5F9O3S.Na/c7-3(8,1-2-19(16,17)18)4(9,10)5(11,12)6(13,14)15/h1-2H2,(H,16,17,18)/q+1/p-1
InChI Key:	CQMSUWBKEVEAJG-UHFFFAOYSA-M
Melting Point:	224 - 226°C
Solubility:	DMSO (Slightly), Methanol (Slightly)
Appearance:	Off-White to Pale Brown Solid
Storage:	-20°C, Hygroscopic
References:	Kawase, T., et al. Journal of Oleo Science, 59, 483-493 (2010).

Complexity:	424
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	349.9635129
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	12
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	349.9635129
Rotatable Bond Count:	5
Topological Polar Surface Area:	65.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0