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Molecule
1H,1H,2H,2H-Perfluorooctylmethyldichlorosilane
CAS: 73609-36-6 · C9H7Cl2F13Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 73609-36-6
- Molecular Formula
- C9H7Cl2F13Si
- Molecular Mass
- 461.12 g/mol
Identifiers
CAS Registry Number
73609-36-6
SMILES
C[Si](Cl)(Cl)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI Key
VBDMVWQNRXVEGC-UHFFFAOYSA-N
InChI
InChI=1S/C9H7Cl2F13Si/c1-25(10,11)3-2-4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h2-3H2,1H3
Names and Synonyms
- 1H,1H,2H,2H-Perfluorooctylmethyldichlorosilane Synonym
- Silane, dichloromethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)- Synonym
- Dichloromethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane Synonym
- T 2491 Synonym
- 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctylmethyldichlorosilane Synonym
- 1H,1H,2H,2H-Perfluorooctylmethyldichlorosilane Synonym
- (Tridecafluoro-1,1,2,2-tetrahydrooctyl)methyldichlorosilane Synonym
- Dichloromethyl(1H,1H,2H,2H-perfluorooctyl)silane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 461.12 g/mol | CAS Common Chemistry |
| 461.1209999999999 g/mol | RDKit | |
| 461.121 g/mol | RDKit | |
| 461.115 g/mol | chempirical lib | |
| Density | 1.55 g/cm³ | CAS Common Chemistry |
| 1.55 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Boiling Point | 189-190 °C | 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)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H7Cl2F13Si/c1-25(10,11)3-2-4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h2-3H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VBDMVWQNRXVEGC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1H,1H,2H,2H-Perfluorooctylmethyldichlorosilane | 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 | 6.664900000000004 | RDKit |
| 6.6649 | RDKit | |
| Molar Refractivity | 63.53799999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 459.94864897400004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 461.12 g/mol; density = 1.550 g/mL. Edit any field — others recompute live.
