Synonyms
NCI-C55050; AN-40341; AC1L25U7; LS00071; Tetrakis Hydroxymethyl-Phosphonium Sulfate; tetrakis(hydroxymethyl)phosphanium sulfate; NCGC00258482-01; RTR-019586; Tetrakis(Hydroxymethyl)Phosphonium Sulfate,ca. 70-80% in Water; NCGC00091951-01;
IUPAC Name
tetrakis(hydroxymethyl)phosphanium;sulfate;
Molecular Weight
406.276g/mol
Molecular Formula
C8H24O12P2S;
Canonical SMILES
C(O)[P+](CO)(CO)CO.C(O)[P+](CO)(CO)CO.[O-]S(=O)(=O)[O-];
InChI
InChI=1S/2C4H12O4P.H₂O4S/c2*5-1-9(2-6,3-7)4-8;1-5(2,3)4/h2*5-8H,1-4H2;(H2,1,2,3,4)/q2*+1;/p-2;
InChI Key
YIEDHPBKGZGLIK-UHFFFAOYSA-L;
Melting Point
-31 ° F (NTP, 1992);
Density
1.381 at 72 ° F (NTP, 1992);
Solubility
greater than or equal to 100 mg/mL at 64° F (NTP, 1992);In water, 1X10+6 mg/L /miscible/ at 25 deg C (est);
Color Form
Crystalline solid;
Complexity
118
Covalently-Bonded Unit Count
3
Decomposition
When heated to decomposition it emits very toxic fumes of /phosphorous oxides & sulfur oxides/.;Decomposition products depend upon temperature, air supply, and the presence of other materials. These decomposition products can include and are not limited to phosphines, phosphorus oxides, and sulfur oxides. /AQUCAR THPS 75 Water Treatment Microbiocide/;
EC Number
259-709-0
Exact Mass
406.046g/mol
H-Bond Acceptor
12
H-Bond Donor
8
Heavy Atom Count
23
Monoisotopic Mass
406.046g/mol
Other Experimental
When heated to decomposition it emits toxic fumes of POx and SOx.;Clear colorless viscous liquid. Formula: C8H24O12P2S. Formula Mass: 406.27; MP: -35.0 deg C; BP: 111 deg C; VP: 32 mm Hg; Density: 1.381 g/cu cm at 20 deg C /Pyroset TKO/;Henry's Law constant = 1.7X10-23 atm-cu m/mol at 25 deg C (est);Hydroxyl radical reaction rate constant = 2.73X10-11 cu cm/molecule-sec at 25 deg C (est);
Rotatable Bond Count
8
Topological Polar Surface Area
251A^2
UNII
5I8RSL9E6S
Vapor Pressure
32 mm Hg at 124 ° F ; 150.5 mm Hg at 163° F (NTP, 1992);8.12 mm Hg at 25 deg C (est);
