Sodium Perfluoro-1-hexanesulfinate - CAS 102061-83-6

Catalog:	BB056783
Product Name:	Sodium Perfluoro-1-hexanesulfinate
CAS:	102061-83-6
Synonyms:	Sodium 1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-1-Hexanesulfinic Acid Salt

Technical Data

IUPAC Name:	sodium1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfinate
Description:	Sodium Perfluoro-1-hexanesulfinate is an intermediate used in the synthesis of Sodium Perfluorohexanesulfonate (S080865), which is used as a flame retardant.
Molecular Weight:	406.1
Molecular Formula:	C6F13NaO2S
Canonical SMILES:	C(C(C(C(F)(F)S(=O)[O-])(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F.[Na+]
InChI:	InChI=1S/C6HF13O2S.Na/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)22(20)21/h(H,20,21)/q+1/p-1
InChI Key:	OACUJLWTMMENAD-UHFFFAOYSA-M
References:	Campo, Julian, et al. Sci. of the Total Envir., 603-604, 330-339 (2017).

Complexity:	458
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	405.9309108
Formal Charge:	0
Heavy Atom Count:	23
Hydrogen Bond Acceptor Count:	16
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	405.9309108
Rotatable Bond Count:	5
Topological Polar Surface Area:	59.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0