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(1,1-Dimethylethyl)Dimethylsilyl 1,1,1-Trifluoromethanesulfonate
CAS: 69739-34-0 | C7H15F3O3SSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
69739-34-0
Molecular Formula:
C7H15F3O3SSi
Molecular Mass:
264.34 g/mol
Names and Synonyms:
(1,1-Dimethylethyl)Dimethylsilyl 1,1,1-Trifluoromethanesulfonate
Methanesulfonic acid, 1,1,1-trifluoro-, (1,1-dimethylethyl)dimethylsilyl ester
Methanesulfonic acid, trifluoro-, (1,1-dimethylethyl)dimethylsilyl ester
(1,1-Dimethylethyl)dimethylsilyl 1,1,1-trifluoromethanesulfonate
tert-Butyldimethylsilyl triflate
tert-Butyldimethylsilyl trifluoromethanesulfonate
Trifluoromethanesulfonic acid (1,1-dimethylethyl)dimethylsilyl ester
Trifluoromethanesulfonic acid tert-butyldimethylsilyl ester
(1,1-Dimethylethyl)dimethylsilyl trifluoromethanesulfonate
tert-Butyldimethylsilyl trifluoromethanesulfonate
tert-Butyldimethylsilyl triflate
Dimethyl(2-methyl-2-propanyl)silyl trifluoromethanesulfonate
Identifiers:
SMILES:
CC(C)(C)[Si](C)(C)OS(=O)(=O)C(F)(F)F
InChI:
InChI=1S/C7H15F3O3SSi/c1-6(2,3)15(4,5)13-14(11,12)7(8,9)10/h1-5H3
Key Properties
Boiling Point
65 °C @ Press: 10 Torr
CAS Common Chemistry
Density
1.15 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 | 264.34 g/mol | CAS Common Chemistry |
| 264.34099999999995 g/mol | RDKit | |
| 264.04632653000004 g/mol | RDKit | |
| Density | 1.15 g/cm³ | CAS Common Chemistry |
| 1.151 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 65 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | O=S(=O)(O[Si](C)(C)C(C)(C)C)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C7H15F3O3SSi/c1-6(2,3)15(4,5)13-14(11,12)7(8,9)10/h1-5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WLLIXJBWWFGEHT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (1,1-Dimethylethyl)dimethylsilyl 1,1,1-trifluoromethanesulfonate | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 43.370000000000005 Ų | RDKit |
| LogP | 2.857800000000001 | RDKit |
| Molar Refractivity | 53.25680000000003 | RDKit |
