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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 Weight:
150.725 g/mol
Names and Synonyms:
Butyldimethylsilyl Chloride
n-Butyldimethylchlorosilane
Butyldimethylchlorosilane
Dimethyl-n-butylchlorosilane
Butyldimethylsilyl chloride
Butylchlorodimethylsilane
Butychlorodimethylsilane
Chlorodimethylbutylsilane
Silane, butylchlorodimethyl-
n-Butyldimethylsilyl chloride
Identifiers:
SMILES:
CCCC[Si](C)(C)Cl
InChI:
InChI=1S/C6H15ClSi/c1-4-5-6-8(2,3)7/h4-6H2,1-3H3
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 |
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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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 150.73 g/mol | Legacy Database |
| density | 0.88 g/cm³ | Legacy Database | |
| cas-boiling-point | 139 °C | Legacy Database | |
| cas-canonical-smile | Cl[Si](C)(C)CCCC | Legacy Database | |
| cas-density | 0.875 g/cm3 | Legacy Database | |
| cas-inchi | InChI=1S/C6H15ClSi/c1-4-5-6-8(2,3)7/h4-6H2,1-3H3 | Legacy Database | |
| cas-inchi-key | InChIKey=MXOSTENCGSDMRE-UHFFFAOYSA-N | Legacy Database | |
| cas-name | Butyldimethylsilyl chloride | Legacy Database | |
| LogP | 3.230400000000002 | RDKit | |
| Molecular | Molecular Weight | 150.725 g/mol | RDKit |
| Exact | Exact Molecular Weight | 150.06315469 g/mol | RDKit |
| Heavy | Heavy Atom Count | 8 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 3 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 0.0 Ų | RDKit |
| Molar | Molar Refractivity | 43.05000000000002 | RDKit |
