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Molecule
(Bromomethyl)Trimethylsilane
CAS: 18243-41-9 · C4H11BrSi
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 18243-41-9
- Molecular Formula
- C4H11BrSi
- Molecular Mass
- 167.12 g/mol
Identifiers
CAS Registry Number
18243-41-9
SMILES
C[Si](C)(C)CBr
InChI Key
ACAUYCZBWABOLI-UHFFFAOYSA-N
InChI
InChI=1S/C4H11BrSi/c1-6(2,3)4-5/h4H2,1-3H3
Names and Synonyms
- (Bromomethyl)Trimethylsilane Synonym
- Silane, (bromomethyl)trimethyl- Synonym
- (Bromomethyl)trimethylsilane Synonym
- (Trimethylsilyl)methyl bromide Synonym
- Bromomethyltrimethylsilane Synonym
- [Trimethyl][bromomethyl]silane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 1.170 g/cm3 | CAS Common Chemistry |
| 1.17 g/cm³ | CAS Common Chemistry | |
| Molecular Mass | 167.12 g/mol | CAS Common Chemistry |
| 167.12199999999999 g/mol | RDKit | |
| 167.122 g/mol | RDKit | |
| Boiling Point | 116.5 °C | CAS Common Chemistry |
| Canonical SMILES | BrC[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H11BrSi/c1-6(2,3)4-5/h4H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ACAUYCZBWABOLI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (Bromomethyl)trimethylsilane | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.2587 | RDKit |
| Molar Refractivity | 37.14 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 165.98133898199998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 167.12 g/mol. Edit any field — others recompute live.
