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(3-Bromo-1-Propyn-1-Yl)Trimethylsilane
CAS: 38002-45-8 | C6H11BrSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
38002-45-8
Molecular Formula:
C6H11BrSi
Molecular Mass:
191.14 g/mol
Names and Synonyms:
(3-Bromo-1-Propyn-1-Yl)Trimethylsilane
Silane, (3-bromo-1-propyn-1-yl)trimethyl-
Silane, (3-bromo-1-propynyl)trimethyl-
(3-Bromo-1-propyn-1-yl)trimethylsilane
(3-Bromo-1-propynyl)trimethylsilane
3-(Trimethylsilyl)propargyl bromide
1-(Trimethylsilyl)-3-bromopropyne
3-Bromo-1-(trimethylsilyl)propyne
1-Bromo-3-trimethylsilyl-2-propyne
3-Bromo-1-(trimethylsilyl)-1-propyne
(Trimethylsilyl)propargyl bromide
(Bromomethyl)(trimethylsilyl)acetylene
3-Trimethylsilyl-2-propynyl bromide
1-Bromo-3-trimethylsilylyprop-2-yne
3-Bromo-1-(trimethylsily)-1-propyne
Identifiers:
SMILES:
C[Si](C)(C)C#CCBr
InChI:
InChI=1S/C6H11BrSi/c1-8(2,3)6-4-5-7/h5H2,1-3H3
Key Properties
Boiling Point
44-45 °C @ Press: 2 Torr
CAS Common Chemistry
Density
1.35 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 | 191.14 g/mol | CAS Common Chemistry |
| 191.14399999999998 g/mol | RDKit | |
| 189.98133898199998 g/mol | RDKit | |
| Density | 1.35 g/cm³ | CAS Common Chemistry |
| 1.351 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 44-45 °C @ Press: 2 Torr | CAS Common Chemistry |
| Canonical SMILES | BrCC#C[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H11BrSi/c1-8(2,3)6-4-5-7/h5H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GAPRPFRDVCCCHR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (3-Bromo-1-propyn-1-yl)trimethylsilane | CAS Common Chemistry |
| Heavy Atom Count | 8 | 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 | 2.2621 | RDKit |
| Molar Refractivity | 44.91600000000002 | RDKit |
