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Tert-Butyltrichlorosilane
CAS: 18171-74-9 | C4H9Cl3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
18171-74-9
Molecular Formula:
C4H9Cl3Si
Molecular Mass:
191.56 g/mol
Names and Synonyms:
Tert-Butyltrichlorosilane
Silane, trichloro(1,1-dimethylethyl)-
Silane, tert-butyltrichloro-
Trichloro(1,1-dimethylethyl)silane
tert-Butylsilicon trichloride
tert-Butyltrichlorosilane
t-Butyltrichlorosilane
Trichloro(tert-butyl)silane
Identifiers:
SMILES:
CC(C)(C)[Si](Cl)(Cl)Cl
InChI:
InChI=1S/C4H9Cl3Si/c1-4(2,3)8(5,6)7/h1-3H3
Key Properties
Boiling Point
142-143 °C
CAS Common Chemistry
Melting Point
97-100 °C
CAS Common Chemistry
Density
1.16 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 | 191.56 g/mol | CAS Common Chemistry |
| 191.561 g/mol | RDKit | |
| 189.953909858 g/mol | RDKit | |
| Density | 1.16 g/cm³ | CAS Common Chemistry |
| 1.160 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 142-143 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](Cl)(Cl)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H9Cl3Si/c1-4(2,3)8(5,6)7/h1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MOOUPSHQAMJMSL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 97-100 °C | CAS Common Chemistry |
| Name | tert-Butyltrichlorosilane | 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 | 3.4418000000000015 | RDKit |
| Molar Refractivity | 43.02800000000002 | RDKit |
