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Nonafluorohexyltrimethoxysilane
CAS: 85877-79-8 | C9H13F9O3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
85877-79-8
Molecular Formula:
C9H13F9O3Si
Molecular Mass:
368.27 g/mol
Names and Synonyms:
Nonafluorohexyltrimethoxysilane
Silane, trimethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-
Trimethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane
Trimethoxy-2-perfluorobutylethylsilane
3,3,4,4,5,5,6,6,6-Nonafluorohexyltrimethoxysilane
Nonafluoro-1,1,2,2-tetrahydrohexyltrimethoxysilane
1,1,2,2-Tetrahydroperfluorohexyltrimethoxysilane
Dow Corning B 3958
Nonafluorobutylethyltrimethoxysilane
(1,1,2,2-Tetrahydrononafluorohexyl)trimethoxysilane
Nonafluorohexyltrimethoxysilane
2-Perfluorobutylethyltrimethoxysilane
Trimethoxy(1H,1H,2H,2H-nonafluorohexyl)silane
T 2918
FAS 9E
Identifiers:
SMILES:
CO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OC)OC
InChI:
InChI=1S/C9H13F9O3Si/c1-19-22(20-2,21-3)5-4-6(10,11)7(12,13)8(14,15)9(16,17)18/h4-5H2,1-3H3
Key Properties
Boiling Point
68-69 °C @ Press: 15 Torr
CAS Common Chemistry
Density
1.34 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 | 368.27 g/mol | CAS Common Chemistry |
| 368.26800000000003 g/mol | RDKit | |
| 368.04902478599996 g/mol | RDKit | |
| Density | 1.34 g/cm³ | CAS Common Chemistry |
| 1.335 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 68-69 °C @ Press: 15 Torr | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](OC)(OC)OC | CAS Common Chemistry |
| InChI | InChI=1S/C9H13F9O3Si/c1-19-22(20-2,21-3)5-4-6(10,11)7(12,13)8(14,15)9(16,17)18/h4-5H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IJROHELDTBDTPH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Nonafluorohexyltrimethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 3.722800000000002 | RDKit |
| Molar Refractivity | 57.10100000000003 | RDKit |
