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Trichlorononylsilane
CAS: 5283-67-0 | C9H19Cl3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5283-67-0
Molecular Formula:
C9H19Cl3Si
Molecular Mass:
261.70 g/mol
Names and Synonyms:
Trichlorononylsilane
Silane, trichlorononyl-
Trichlorononylsilane
Nonyltrichlorosilane
Identifiers:
SMILES:
CCCCCCCCC[Si](Cl)(Cl)Cl
InChI:
InChI=1S/C9H19Cl3Si/c1-2-3-4-5-6-7-8-9-13(10,11)12/h2-9H2,1H3
Key Properties
Boiling Point
116.2 °C @ Press: 10 Torr
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 | 261.70 g/mol | CAS Common Chemistry |
| 261.696 g/mol | RDKit | |
| 260.032160178 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.072 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 116.2 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](Cl)(Cl)CCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C9H19Cl3Si/c1-2-3-4-5-6-7-8-9-13(10,11)12/h2-9H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SSBOTKQTCWQWMG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Trichlorononylsilane | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 5.392300000000004 | RDKit |
| Molar Refractivity | 66.11300000000004 | RDKit |
