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Trichlorohexadecylsilane
CAS: 5894-60-0 | C16H33Cl3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5894-60-0
Molecular Formula:
C16H33Cl3Si
Molecular Mass:
359.88 g/mol
Names and Synonyms:
Trichlorohexadecylsilane
Silane, trichlorohexadecyl-
Trichlorohexadecylsilane
Hexadecyltrichlorosilane
Cetyltrichlorosilane
NSC 22328
Dynasylan 9016
HC 16
Identifiers:
SMILES:
CCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl
InChI:
InChI=1S/C16H33Cl3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3
Key Properties
Boiling Point
269 °C
CAS Common Chemistry
Density
1.00 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 | 359.88 g/mol | CAS Common Chemistry |
| 359.8849999999999 g/mol | RDKit | |
| 358.141710626 g/mol | RDKit | |
| Density | 1.00 g/cm³ | CAS Common Chemistry |
| 0.996 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 269 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](Cl)(Cl)CCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C16H33Cl3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RYPYGDUZKOPBEL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Trichlorohexadecylsilane | 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 | 8.123000000000005 | RDKit |
| Molar Refractivity | 98.43200000000007 | RDKit |
