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Tris(Trimethylsilyl) Borate
CAS: 4325-85-3 | C9H27BO3Si3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4325-85-3
Molecular Formula:
C9H27BO3Si3
Molecular Mass:
278.38 g/mol
Names and Synonyms:
Tris(Trimethylsilyl) Borate
Silanol, 1,1,1-trimethyl-, 1,1′,1′′-triester with boric acid (H3BO3)
Silanol, trimethyl-, triester with boric acid (H3BO3)
Silanol, trimethyl-, borate
Borane, tris(trimethylsiloxy)-
Tris(trimethylsilyl) borate
Tris(trimethylsiloxy)boron
Identifiers:
SMILES:
C[Si](C)(C)OB(O[Si](C)(C)C)O[Si](C)(C)C
InChI:
InChI=1S/C9H27BO3Si3/c1-14(2,3)11-10(12-15(4,5)6)13-16(7,8)9/h1-9H3
Key Properties
Boiling Point
184 °C
CAS Common Chemistry
Melting Point
-35 °C
CAS Common Chemistry
Density
0.83 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 | 278.38 g/mol | CAS Common Chemistry |
| 278.382 g/mol | RDKit | |
| 278.136104714 g/mol | RDKit | |
| Density | 0.83 g/cm³ | CAS Common Chemistry |
| 0.825 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 184 °C | CAS Common Chemistry |
| Canonical SMILES | O(B(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H27BO3Si3/c1-14(2,3)11-10(12-15(4,5)6)13-16(7,8)9/h1-9H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YZYKZHPNRDIPFA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -35 °C | CAS Common Chemistry |
| Name | Tris(trimethylsilyl) borate | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 3.525800000000002 | RDKit |
| Molar Refractivity | 79.04700000000004 | RDKit |
