Back to Search
Molecule
Hexyltrichlorosilane
CAS: 928-65-4 · C6H13Cl3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 928-65-4
- Molecular Formula
- C6H13Cl3Si
- Molecular Mass
- 219.62 g/mol
Identifiers
CAS Registry Number
928-65-4
SMILES
CCCCCC[Si](Cl)(Cl)Cl
InChI Key
LFXJGGDONSCPOF-UHFFFAOYSA-N
InChI
InChI=1S/C6H13Cl3Si/c1-2-3-4-5-6-10(7,8)9/h2-6H2,1H3
Names and Synonyms
- Hexyltrichlorosilane Synonym
- Silane, trichlorohexyl- Synonym
- Trichlorohexylsilane Synonym
- Hexyltrichlorosilane Synonym
- n-Hexyltrichlorosilane Synonym
- NSC 139843 Synonym
- 1,1,1-Trichloro-1-silaheptane Synonym
- 1-Hexyltrichlorosilane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 219.62 g/mol | CAS Common Chemistry |
| 219.615 g/mol | RDKit | |
| 219.606 g/mol | chempirical lib | |
| Density | 1.11 g/cm³ | CAS Common Chemistry |
| 1.1100 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 190 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](Cl)(Cl)CCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C6H13Cl3Si/c1-2-3-4-5-6-10(7,8)9/h2-6H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LFXJGGDONSCPOF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Hexyltrichlorosilane | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.222000000000003 | RDKit |
| 4.222 | RDKit | |
| 4.53 | chempirical lib | |
| Molar Refractivity | 52.26200000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 217.985209986 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 219.62 g/mol; density = 1.110 g/mL. Edit any field — others recompute live.
