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Molecule
Bromotrimethylsilane
CAS: 2857-97-8 · C3H9BrSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2857-97-8
- Molecular Formula
- C3H9BrSi
- Molecular Mass
- 153.10 g/mol
Identifiers
CAS Registry Number
2857-97-8
SMILES
C[Si](C)(C)Br
InChI Key
IYYIVELXUANFED-UHFFFAOYSA-N
InChI
InChI=1S/C3H9BrSi/c1-5(2,3)4/h1-3H3
Names and Synonyms
- Bromotrimethylsilane Common Name
- Silane, bromotrimethyl- Synonym
- Bromotrimethylsilane Synonym
- Trimethylsilyl bromide Synonym
- Trimethylbromosilane Synonym
- Trimethylsilicon bromide Synonym
- NSC 139857 Synonym
- TMSBr Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 153.10 g/mol | CAS Common Chemistry |
| 153.09499999999997 g/mol | RDKit | |
| 153.095 g/mol | RDKit | |
| Density | 1.17 g/cm³ | CAS Common Chemistry |
| 1.172 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 80 °C | CAS Common Chemistry |
| Canonical SMILES | Br[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H9BrSi/c1-5(2,3)4/h1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IYYIVELXUANFED-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -44 °C | CAS Common Chemistry |
| Name | Bromotrimethylsilane | 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 | 2.2161999999999997 | RDKit |
| 2.2162 | RDKit | |
| 2.42 | chempirical lib | |
| Molar Refractivity | 32.27299999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 151.96568891799998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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 = 153.10 g/mol; density = 1.170 g/mL. Edit any field — others recompute live.
