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Tetrakis(Hydroxymethyl)Phosphonium Chloride
CAS: 124-64-1 | C4H12ClO4P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
124-64-1
Molecular Formula:
C4H12ClO4P
Molecular Mass:
190.56 g/mol
Names and Synonyms:
Tetrakis(Hydroxymethyl)Phosphonium Chloride
Phosphonium, tetrakis(hydroxymethyl)-, chloride (1:1)
Phosphonium, tetrakis(hydroxymethyl)-, chloride
Tetrakis(hydroxymethyl)phosphonium chloride
THPC
Tetramethylolphosphonium chloride
Tetrakis(hydroxymethyl)phosphochloride
Tetrahydroxymethylphosphonium chloride
Pyroset TKC
NSC 30698
T 0670
Identifiers:
SMILES:
OC[P+](CO)(CO)CO.[Cl-]
InChI:
InChI=1S/C4H12O4P.ClH/c5-1-9(2-6,3-7)4-8;/h5-8H,1-4H2;1H/q+1;/p-1
Key Properties
Melting Point
154 °C
CAS Common Chemistry
Density
1.34 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 | 190.56 g/mol | CAS Common Chemistry |
| 190.563 g/mol | RDKit | |
| 190.016173174 g/mol | RDKit | |
| Density | 1.34 g/cm³ | CAS Common Chemistry |
| 1.341 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tetrakis(hydroxymethyl)phosphonium_chloride | CAS Common Chemistry |
| Canonical SMILES | [Cl-].OC[P+](CO)(CO)CO | CAS Common Chemistry |
| InChI | InChI=1S/C4H12O4P.ClH/c5-1-9(2-6,3-7)4-8;/h5-8H,1-4H2;1H/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=AKXUUJCMWZFYMV-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 154 °C | CAS Common Chemistry |
| Name | Tetrakis(hydroxymethyl)phosphonium chloride | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 80.92 Ų | RDKit |
| LogP | -4.1927999999999965 | RDKit |
| Molar Refractivity | 35.26319999999999 | RDKit |
