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Tributylchlorosilane
CAS: 995-45-9 | C12H27ClSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
995-45-9
Molecular Formula:
C12H27ClSi
Molecular Mass:
234.89 g/mol
Names and Synonyms:
Tributylchlorosilane
Silane, tributylchloro-
Tributylchlorosilane
Chlorotributylsilane
Tributylsilyl chloride
Tri-n-butylchlorosilane
NSC 139852
Identifiers:
SMILES:
CCCC[Si](Cl)(CCCC)CCCC
InChI:
InChI=1S/C12H27ClSi/c1-4-7-10-14(13,11-8-5-2)12-9-6-3/h4-12H2,1-3H3
Key Properties
Boiling Point
93-94 °C @ Press: 4 Torr
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 | 234.89 g/mol | CAS Common Chemistry |
| 234.88699999999992 g/mol | RDKit | |
| 234.157055074 g/mol | RDKit | |
| Density | 0.88 g/cm³ | CAS Common Chemistry |
| 0.879 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 93-94 °C @ Press: 4 Torr | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](CCCC)(CCCC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C12H27ClSi/c1-4-7-10-14(13,11-8-5-2)12-9-6-3/h4-12H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JSQJUDVTRRCSRU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tributylchlorosilane | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 5.571000000000005 | RDKit |
| Molar Refractivity | 70.75200000000005 | RDKit |
