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Tetrakis(Hydroxymethyl)Phosphonium Sulfate
CAS: 55566-30-8 | C4H12O8PS-
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
55566-30-8
Molecular Formula:
C4H12O8PS-
Molecular Mass:
251.17 g/mol
Names and Synonyms:
Tetrakis(Hydroxymethyl)Phosphonium Sulfate
Phosphonium, tetrakis(hydroxymethyl)-, sulfate (2:1)
Phosphonium, tetrakis(hydroxymethyl)-, sulfate (2:1) (salt)
Tetrakis(hydroxymethyl)phosphonium sulfate
Pyroset TKO
THPS
Octakis(hydroxymethyl)diphosphonium sulfate
THPS 75
Bis[tetrakis(hydroxymethyl)phosphonium] sulfate
Retardol S
Proban NX
Tolcide PS
Tolcide PS 75
Tolcide PS 200
Tolcide
Magnacide 575
Bis[tetra(hydroxymethyl)phosphonium] sulfate
Aqucar THPS 75
Pyroset TKOW
Tolcide 20A
Tolcide 70A
Eccoshield FR 101
Bricorr 75
Odycide B 320
Identifiers:
SMILES:
O=S(=O)([O-])[O-].OC[P+](CO)(CO)CO
InChI:
InChI=1S/C4H12O4P.H2O4S/c5-1-9(2-6,3-7)4-8;1-5(2,3)4/h5-8H,1-4H2;(H2,1,2,3,4)/q+1;/p-2
Key Properties
Density
1.41 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 251.17 g/mol | CAS Common Chemistry |
| 251.17299999999994 g/mol | RDKit | |
| 250.99959855391003 g/mol | RDKit | |
| Density | 1.41 g/cm³ | CAS Common Chemistry |
| 1.41 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O=S(=O)([O-])[O-].OC[P+](CO)(CO)CO | CAS Common Chemistry |
| InChI | InChI=1S/C4H12O4P.H2O4S/c5-1-9(2-6,3-7)4-8;1-5(2,3)4/h5-8H,1-4H2;(H2,1,2,3,4)/q+1;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=HFDZMBPIARIWLN-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Tetrakis(hydroxymethyl)phosphonium sulfate | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 161.18 Ų | RDKit |
| LogP | -2.5347999999999993 | RDKit |
| Molar Refractivity | 45.73780000000003 | RDKit |
