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(Tridecafluoro-1,1,2,2-Tetrahydrooctyl)Trichlorosilane
CAS: 78560-45-9 | C8H4Cl3F13Si
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
78560-45-9
Molecular Formula:
C8H4Cl3F13Si
Molecular Mass:
481.54 g/mol
Names and Synonyms:
(Tridecafluoro-1,1,2,2-Tetrahydrooctyl)Trichlorosilane
Silane, trichloro(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-
Trichloro(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
(1,1,2,2-Tetrahydroperfluorooctyl)trichlorosilane
[2-(Perfluorohexyl)ethyl]trichlorosilane
Trichloro(tridecafluoro-1,1,2,2-tetrahydrooctyl)silane
Trichloro(1H,1H,2H,2H-tridecafluorooctyl)silane
1H,1H,2H,2H-Perfluorooctyltrichlorosilane
3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyltrichlorosilane
(Tridecafluoro-1,1,2,2-tetrahydrooctyl)trichlorosilane
T 2492
TSL 8256
Perfluoro-1,1,2,2-tetrahydrooctyltrichlorosilane
SIT 8174.0
Dynasylan 8061
(1H,1H,2H,2H-Tridecafluorooctyl)trichlorosilane
Tridecafluoro-1,1,2,2-tetrahydroctyl-1-trichlorosilane
Trichloro(1H,1H,2H,2H-perfluorooctyl)silane
F 13OTCS
FDTS
(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-yl)trichlorosilane
Trichloro(1H,1H,2H,2H-perfuorooctyl)silane
Identifiers:
SMILES:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](Cl)(Cl)Cl
InChI:
InChI=1S/C8H4Cl3F13Si/c9-25(10,11)2-1-3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24/h1-2H2
Key Properties
Boiling Point
84-85 °C @ Press: 17 Torr
CAS Common Chemistry
Density
1.64 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 | 481.54 g/mol | CAS Common Chemistry |
| 481.539 g/mol | RDKit | |
| 479.894026558 g/mol | RDKit | |
| Density | 1.64 g/cm³ | CAS Common Chemistry |
| 1.639 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 84-85 °C @ Press: 17 Torr | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](Cl)(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C8H4Cl3F13Si/c9-25(10,11)2-1-3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24/h1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=PISDRBMXQBSCIP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (Tridecafluoro-1,1,2,2-tetrahydrooctyl)trichlorosilane | CAS Common Chemistry |
| Heavy Atom Count | 25 | 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 | 6.770600000000001 | RDKit |
| Molar Refractivity | 63.527000000000015 | RDKit |
