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Octyltrichlorosilane
CAS: 5283-66-9 | C8H17Cl3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5283-66-9
Molecular Formula:
C8H17Cl3Si
Molecular Mass:
247.67 g/mol
Names and Synonyms:
Octyltrichlorosilane
Silane, trichlorooctyl-
Trichlorooctylsilane
Octyltrichlorosilane
P 09830
LS 2190
n-Octyltrichlorosilane
OTS 8
Identifiers:
SMILES:
CCCCCCCC[Si](Cl)(Cl)Cl
InChI:
InChI=1S/C8H17Cl3Si/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3
Key Properties
Boiling Point
232 °C
CAS Common Chemistry
Density
1.07 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 | 247.67 g/mol | CAS Common Chemistry |
| 247.669 g/mol | RDKit | |
| 246.016510114 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.074 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 232 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](Cl)(Cl)CCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H17Cl3Si/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RCHUVCPBWWSUMC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Octyltrichlorosilane | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 5.002200000000004 | RDKit |
| Molar Refractivity | 61.496000000000045 | RDKit |
