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Molecule
(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
Identifiers
CAS Registry Number
38002-45-8
SMILES
C[Si](C)(C)C#CCBr
InChI Key
GAPRPFRDVCCCHR-UHFFFAOYSA-N
InChI
InChI=1S/C6H11BrSi/c1-8(2,3)6-4-5-7/h5H2,1-3H3
Names and Synonyms
- (3-Bromo-1-Propyn-1-Yl)Trimethylsilane Synonym
- Silane, (3-bromo-1-propyn-1-yl)trimethyl- Synonym
- Silane, (3-bromo-1-propynyl)trimethyl- Synonym
- (3-Bromo-1-propyn-1-yl)trimethylsilane Synonym
- (3-Bromo-1-propynyl)trimethylsilane Synonym
- 3-(Trimethylsilyl)propargyl bromide Synonym
- 1-(Trimethylsilyl)-3-bromopropyne Synonym
- 3-Bromo-1-(trimethylsilyl)propyne Synonym
- 1-Bromo-3-trimethylsilyl-2-propyne Synonym
- 3-Bromo-1-(trimethylsilyl)-1-propyne Synonym
- (Trimethylsilyl)propargyl bromide Synonym
- (Bromomethyl)(trimethylsilyl)acetylene Synonym
- 3-Trimethylsilyl-2-propynyl bromide Synonym
- 1-Bromo-3-trimethylsilylyprop-2-yne Synonym
- 3-Bromo-1-(trimethylsily)-1-propyne Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 191.14 g/mol | CAS Common Chemistry |
| 191.14399999999998 g/mol | RDKit | |
| 191.144 g/mol | RDKit | |
| Density | 1.35 g/cm³ | CAS Common Chemistry |
| 1.351 g/cm3 | 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 189.98133898199998 g/mol | RDKit |
| Boiling Point | 44-45 °C @ 2 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 191.14 g/mol; density = 1.350 g/mL. Edit any field — others recompute live.
