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Molecule
Tris(Trimethylsilyl) Phosphate
CAS: 10497-05-9 · C9H27O4PSi3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10497-05-9
- Molecular Formula
- C9H27O4PSi3
- Molecular Mass
- 314.54 g/mol
Identifiers
CAS Registry Number
10497-05-9
SMILES
C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C
InChI Key
QJMMCGKXBZVAEI-UHFFFAOYSA-N
InChI
InChI=1S/C9H27O4PSi3/c1-15(2,3)11-14(10,12-16(4,5)6)13-17(7,8)9/h1-9H3
Names and Synonyms
- Tris(Trimethylsilyl) Phosphate Common Name
- Silanol, 1,1,1-trimethyl-, 1,1′,1′′-phosphate Synonym
- Silanol, trimethyl-, phosphate (3:1) Synonym
- Tris(trimethylsilyl) phosphate Synonym
- Tris(trimethylsiloxy)phosphine oxide Synonym
- PC 9983 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 314.54 g/mol | CAS Common Chemistry |
| 314.54300000000006 g/mol | RDKit | |
| 314.543 g/mol | RDKit | |
| Density | 0.96 g/cm³ | CAS Common Chemistry |
| 0.959 g/cm3 | 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 |
| 44.76 Ų | RDKit | |
| LogP | 4.6490000000000045 | RDKit |
| 4.649 | RDKit | |
| Molar Refractivity | 80.89950000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 314.095475564 g/mol | RDKit |
| Boiling Point | 85-87 °C @ 4 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 314.54 g/mol; density = 0.960 g/mL. Edit any field — others recompute live.
