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Molecule
Hexachlorodisilane
CAS: 13465-77-5 · Cl6Si2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13465-77-5
- Molecular Formula
- Cl6Si2
- Molecular Mass
- 268.89 g/mol
Identifiers
CAS Registry Number
13465-77-5
SMILES
Cl[Si](Cl)(Cl)[Si](Cl)(Cl)Cl
InChI Key
LXEXBJXDGVGRAR-UHFFFAOYSA-N
InChI
InChI=1S/Cl6Si2/c1-7(2,3)8(4,5)6
Names and Synonyms
- Hexachlorodisilane Synonym
- Disilane, 1,1,1,2,2,2-hexachloro- Synonym
- Silicon chloride (Si2Cl6) Synonym
- Disilane, hexachloro- Synonym
- 1,1,1,2,2,2-Hexachlorodisilane Synonym
- Hexachlorodisilane Synonym
- Disilicon hexachloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 268.89 g/mol | CAS Common Chemistry |
| 268.872 g/mol | chempirical lib | |
| Density | 1.56 g/cm³ | CAS Common Chemistry |
| 1.562 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Hexachlorodisilane | CAS Common Chemistry |
| Boiling Point | 144-146 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](Cl)(Cl)[Si](Cl)(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/Cl6Si2/c1-7(2,3)8(4,5)6 | CAS Common Chemistry |
| InChI Key | InChIKey=LXEXBJXDGVGRAR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -1 °C | CAS Common Chemistry |
| Name | 1,1,1,2,2,2-Hexachlorodisilane | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.3754 | RDKit |
| Molar Refractivity | 46.626000000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 265.76696914 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
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MW = 268.89 g/mol; density = 1.560 g/mL. Edit any field — others recompute live.
