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Molecule
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
Identifiers
CAS Registry Number
16029-98-4
SMILES
C[Si](C)(C)I
InChI Key
CSRZQMIRAZTJOY-UHFFFAOYSA-N
InChI
InChI=1S/C3H9ISi/c1-5(2,3)4/h1-3H3
Names and Synonyms
- Trimethylsilyl Iodide Synonym
- Silane, iodotrimethyl- Synonym
- Iodotrimethylsilane Synonym
- Trimethylsilyl iodide Synonym
- Trimethyliodosilane Synonym
- Trimethylsilicon iodide Synonym
- TMSI Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 200.10 g/mol | CAS Common Chemistry |
| 200.09499999999997 g/mol | RDKit | |
| 200.095 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 |
| 2.2563 | RDKit | |
| Molar Refractivity | 37.36600000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 199.951824818 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 200.10 g/mol; density = 1.470 g/mL. Edit any field — others recompute live.
