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Tris(Trimethylsilyl) Phosphate
CAS: 10497-05-9 | C9H27O4PSi3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10497-05-9
Molecular Formula:
C9H27O4PSi3
Molecular Mass:
314.54 g/mol
Names and Synonyms:
Tris(Trimethylsilyl) Phosphate
Silanol, 1,1,1-trimethyl-, 1,1′,1′′-phosphate
Silanol, trimethyl-, phosphate (3:1)
Tris(trimethylsilyl) phosphate
Tris(trimethylsiloxy)phosphine oxide
PC 9983
Identifiers:
SMILES:
C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C
InChI:
InChI=1S/C9H27O4PSi3/c1-15(2,3)11-14(10,12-16(4,5)6)13-17(7,8)9/h1-9H3
Key Properties
Boiling Point
85-87 °C @ Press: 4 Torr
CAS Common Chemistry
Melting Point
2-4 °C
CAS Common Chemistry
Density
0.96 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 | 314.54 g/mol | CAS Common Chemistry |
| 314.54300000000006 g/mol | RDKit | |
| 314.095475564 g/mol | RDKit | |
| Density | 0.96 g/cm³ | CAS Common Chemistry |
| 0.959 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 85-87 °C @ Press: 4 Torr | CAS Common Chemistry |
| Canonical SMILES | O=P(O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H27O4PSi3/c1-15(2,3)11-14(10,12-16(4,5)6)13-17(7,8)9/h1-9H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QJMMCGKXBZVAEI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 2-4 °C | CAS Common Chemistry |
| Name | Tris(trimethylsilyl) phosphate | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.760000000000005 Ų | RDKit |
| LogP | 4.6490000000000045 | RDKit |
| Molar Refractivity | 80.89950000000005 | RDKit |
