Back to Search
Hexyltrichlorosilane
CAS: 928-65-4 | C6H13Cl3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
928-65-4
Molecular Formula:
C6H13Cl3Si
Molecular Mass:
219.62 g/mol
Names and Synonyms:
Hexyltrichlorosilane
Silane, trichlorohexyl-
Trichlorohexylsilane
Hexyltrichlorosilane
n-Hexyltrichlorosilane
NSC 139843
1,1,1-Trichloro-1-silaheptane
1-Hexyltrichlorosilane
Identifiers:
SMILES:
CCCCCC[Si](Cl)(Cl)Cl
InChI:
InChI=1S/C6H13Cl3Si/c1-2-3-4-5-6-10(7,8)9/h2-6H2,1H3
Key Properties
Boiling Point
190 °C
CAS Common Chemistry
Density
1.11 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 | 219.62 g/mol | CAS Common Chemistry |
| 219.615 g/mol | RDKit | |
| 217.985209986 g/mol | RDKit | |
| Density | 1.11 g/cm³ | CAS Common Chemistry |
| 1.1100 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 190 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](Cl)(Cl)CCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C6H13Cl3Si/c1-2-3-4-5-6-10(7,8)9/h2-6H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LFXJGGDONSCPOF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Hexyltrichlorosilane | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.222000000000003 | RDKit |
| Molar Refractivity | 52.26200000000003 | RDKit |
