Bis(perfluorohexyl)phosphinic Acid Sodium Salt - CAS 70609-44-8

Catalog:	BB072929
Product Name:	Bis(perfluorohexyl)phosphinic Acid Sodium Salt
CAS:	70609-44-8
Synonyms:	P,Pbis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-phosphinic Acid Sodium Salt; Bis(tridecafluorohexyl)phosphinic Acid; Bis(tridecafluorohexyl)phosphinic Acid Sodium Salt; P,P-Bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phosphinic Acid Sodium Salt

Technical Data

IUPAC Name:	sodiumbis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phosphinate
Description:	Bis(perfluorohexyl)phosphinic Acid is a polyfluoroalkyl phosphoric acid that was examined as an environmental toxic compound in lakes.
Molecular Weight:	724.05
Molecular Formula:	C12F26NaO2P
Canonical SMILES:	C(C(C(C(F)(F)P(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)[O-])(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F.[Na+]
InChI:	InChI=1S/C12HF26O2P.Na/c13-1(14,5(21,22)9(29,30)31)3(17,18)7(25,26)11(35,36)41(39,40)12(37,38)8(27,28)4(19,20)2(15,16)6(23,24)10(32,33)34/h(H,39,40)/q+1/p-1
InChI Key:	KJVRYSHRRDRBEW-UHFFFAOYSA-M
Melting Point:	>300°C
Solubility:	DMSO (Slightly, Heated), Methanol (Slightly)
Appearance:	White to Off-White Solid
Storage:	-20°C, Hygroscopic
References:	Lee, H., et al. Envrion. Sci. Technol. 46, 3489 (2012); Lee, H., et al. Envrion. Sci. Technol. 45, 8067 (2011).

Complexity:	959
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	723.9118427
Formal Charge:	0
Heavy Atom Count:	42
Hydrogen Bond Acceptor Count:	28
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	723.9118427
Rotatable Bond Count:	10
Topological Polar Surface Area:	40.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0