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Chlorodimethyl(Pentafluorophenyl)Silane
CAS: 20082-71-7 | C8H6ClF5Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
20082-71-7
Molecular Formula:
C8H6ClF5Si
Molecular Mass:
260.66 g/mol
Names and Synonyms:
Chlorodimethyl(Pentafluorophenyl)Silane
Benzene, 1-(chlorodimethylsilyl)-2,3,4,5,6-pentafluoro-
Silane, chlorodimethyl(pentafluorophenyl)-
1-(Chlorodimethylsilyl)-2,3,4,5,6-pentafluorobenzene
Flophemesyl chloride
Chlorodimethyl(pentafluorophenyl)silane
(Pentafluorophenyl)dimethylchlorosilane
(Pentafluorophenyl)dimethylsilyl chloride
Identifiers:
SMILES:
C[Si](C)(Cl)c1c(F)c(F)c(F)c(F)c1F
InChI:
InChI=1S/C8H6ClF5Si/c1-15(2,9)8-6(13)4(11)3(10)5(12)7(8)14/h1-2H3
Key Properties
Boiling Point
88-90 °C @ Press: 10 Torr
CAS Common Chemistry
Density
1.37 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 | 260.66 g/mol | CAS Common Chemistry |
| 260.66499999999996 g/mol | RDKit | |
| 259.984745502 g/mol | RDKit | |
| Density | 1.37 g/cm³ | CAS Common Chemistry |
| 1.367 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 88-90 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | FC=1C(F)=C(F)C(=C(F)C1F)[Si](Cl)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H6ClF5Si/c1-15(2,9)8-6(13)4(11)3(10)5(12)7(8)14/h1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PQRFRTCWNCVQHI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Chlorodimethyl(pentafluorophenyl)silane | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.0330000000000013 | RDKit |
| Molar Refractivity | 49.201 | RDKit |
