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Trimethylsilyl Iodide
CAS: 16029-98-4 | C3H9ISi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16029-98-4
Molecular Formula:
C3H9ISi
Molecular Mass:
200.10 g/mol
Names and Synonyms:
Trimethylsilyl Iodide
Silane, iodotrimethyl-
Iodotrimethylsilane
Trimethylsilyl iodide
Trimethyliodosilane
Trimethylsilicon iodide
TMSI
Identifiers:
SMILES:
C[Si](C)(C)I
InChI:
InChI=1S/C3H9ISi/c1-5(2,3)4/h1-3H3
Key Properties
Boiling Point
106-107 °C
CAS Common Chemistry
Density
1.47 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 | 200.10 g/mol | CAS Common Chemistry |
| 200.09499999999997 g/mol | RDKit | |
| 199.951824818 g/mol | RDKit | |
| Density | 1.47 g/cm³ | CAS Common Chemistry |
| 1.470 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Trimethylsilyl_iodide | CAS Common Chemistry |
| Boiling Point | 106-107 °C | CAS Common Chemistry |
| Canonical SMILES | I[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H9ISi/c1-5(2,3)4/h1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CSRZQMIRAZTJOY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Trimethylsilyl iodide | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.2563000000000004 | RDKit |
| Molar Refractivity | 37.36600000000001 | RDKit |
