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Butyldimethylsilyl Chloride
CAS: 1000-50-6 | C6H15ClSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1000-50-6
Molecular Formula:
C6H15ClSi
Molecular Mass:
150.73 g/mol
Names and Synonyms:
Butyldimethylsilyl Chloride
Silane, butylchlorodimethyl-
Butylchlorodimethylsilane
Butyldimethylsilyl chloride
Chlorodimethylbutylsilane
Butyldimethylchlorosilane
Dimethyl-n-butylchlorosilane
n-Butyldimethylchlorosilane
n-Butyldimethylsilyl chloride
Butychlorodimethylsilane
Identifiers:
SMILES:
CCCC[Si](C)(C)Cl
InChI:
InChI=1S/C6H15ClSi/c1-4-5-6-8(2,3)7/h4-6H2,1-3H3
Key Properties
Boiling Point
139 °C
CAS Common Chemistry
Density
0.88 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 | 150.73 g/mol | CAS Common Chemistry |
| 150.725 g/mol | RDKit | |
| 150.06315469 g/mol | RDKit | |
| Density | 0.88 g/cm³ | CAS Common Chemistry |
| 0.875 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 139 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](C)(C)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C6H15ClSi/c1-4-5-6-8(2,3)7/h4-6H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MXOSTENCGSDMRE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Butyldimethylsilyl chloride | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.230400000000002 | RDKit |
| Molar Refractivity | 43.05000000000002 | RDKit |
