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(Bromomethyl)Trimethylsilane
CAS: 18243-41-9 | C4H11BrSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
18243-41-9
Molecular Formula:
C4H11BrSi
Molecular Mass:
167.12 g/mol
Names and Synonyms:
(Bromomethyl)Trimethylsilane
Silane, (bromomethyl)trimethyl-
(Bromomethyl)trimethylsilane
(Trimethylsilyl)methyl bromide
Bromomethyltrimethylsilane
[Trimethyl][bromomethyl]silane
Identifiers:
SMILES:
C[Si](C)(C)CBr
InChI:
InChI=1S/C4H11BrSi/c1-6(2,3)4-5/h4H2,1-3H3
Key Properties
Boiling Point
116.5 °C
CAS Common Chemistry
Density
1.17 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 | 167.12 g/mol | CAS Common Chemistry |
| 167.12199999999999 g/mol | RDKit | |
| 165.98133898199998 g/mol | RDKit | |
| Density | 1.17 g/cm³ | CAS Common Chemistry |
| 1.170 g/cm3 | CAS Common Chemistry | |
| 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 | RDKit |
