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Chlorotrihexylsilane
CAS: 3634-67-1 | C18H39ClSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3634-67-1
Molecular Formula:
C18H39ClSi
Molecular Mass:
319.05 g/mol
Names and Synonyms:
Chlorotrihexylsilane
Silane, chlorotrihexyl-
Chlorotrihexylsilane
Trihexylchlorosilane
Trihexylsilyl chloride
Tri-n-hexylsilyl chloride
NSC 139855
Identifiers:
SMILES:
CCCCCC[Si](Cl)(CCCCCC)CCCCCC
InChI:
InChI=1S/C18H39ClSi/c1-4-7-10-13-16-20(19,17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H3
Key Properties
Boiling Point
154-155 °C @ Press: 5 Torr
CAS Common Chemistry
Density
0.87 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 | 319.05 g/mol | CAS Common Chemistry |
| 319.0490000000001 g/mol | RDKit | |
| 318.250955458 g/mol | RDKit | |
| Density | 0.87 g/cm³ | CAS Common Chemistry |
| 0.871 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 154-155 °C @ Press: 5 Torr | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](CCCCCC)(CCCCCC)CCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C18H39ClSi/c1-4-7-10-13-16-20(19,17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WZQSBCHNVPAYOC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Chlorotrihexylsilane | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 15 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 7.911600000000007 | RDKit |
| Molar Refractivity | 98.45400000000008 | RDKit |
