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Dichloromethyl(3,3,3-Trifluoropropyl)Silane
CAS: 675-62-7 | C4H7Cl2F3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
675-62-7
Molecular Formula:
C4H7Cl2F3Si
Molecular Mass:
211.09 g/mol
Names and Synonyms:
Dichloromethyl(3,3,3-Trifluoropropyl)Silane
Silane, dichloromethyl(3,3,3-trifluoropropyl)-
Dichloromethyl(3,3,3-trifluoropropyl)silane
(3,3,3-Trifluoropropyl)methyldichlorosilane
Methyl-3,3,3-trifluoropropyldichlorosilane
(3,3,3-Trifluoropropyl)dichloromethylsilane
Identifiers:
SMILES:
C[Si](Cl)(Cl)CCC(F)(F)F
InChI:
InChI=1S/C4H7Cl2F3Si/c1-10(5,6)3-2-4(7,8)9/h2-3H2,1H3
Key Properties
Boiling Point
121-122 °C
CAS Common Chemistry
Density
1.26 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 | 211.09 g/mol | CAS Common Chemistry |
| 211.08599999999996 g/mol | RDKit | |
| 209.964616774 g/mol | RDKit | |
| Density | 1.26 g/cm³ | CAS Common Chemistry |
| 1.261 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 121-122 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)CC[Si](Cl)(Cl)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H7Cl2F3Si/c1-10(5,6)3-2-4(7,8)9/h2-3H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OHABWQNEJUUFAV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Dichloromethyl(3,3,3-trifluoropropyl)silane | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.4884000000000013 | RDKit |
| Molar Refractivity | 38.80300000000001 | RDKit |
