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Molecule
1,1′-(1,2-Ethanediyl)Bis[1,1,1-Trichlorosilane]
CAS: 2504-64-5 · C2H4Cl6Si2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2504-64-5
- Molecular Formula
- C2H4Cl6Si2
- Molecular Mass
- 296.94 g/mol
Identifiers
CAS Registry Number
2504-64-5
SMILES
Cl[Si](Cl)(Cl)CC[Si](Cl)(Cl)Cl
InChI Key
WDVUXWDZTPZIIE-UHFFFAOYSA-N
InChI
InChI=1S/C2H4Cl6Si2/c3-9(4,5)1-2-10(6,7)8/h1-2H2
Names and Synonyms
- 1,1′-(1,2-Ethanediyl)Bis[1,1,1-Trichlorosilane] Systematic Name
- Ethylenebis(trichlorosilane) Synonym
- Silane, 1,1′-(1,2-ethanediyl)bis[1,1,1-trichloro- Synonym
- 1,4-Disilabutane, 1,1,1,4,4,4-hexachloro- Synonym
- Silane, 1,2-ethanediylbis[trichloro- Synonym
- 1,1′-(1,2-Ethanediyl)bis[1,1,1-trichlorosilane] Synonym
- 1,2-Bis(trichlorosilyl)ethane Synonym
- 1,2-Ethanediylbis(trichlorosilane) Synonym
- 1,1,1,4,4,4-Hexachloro-1,4-disilabutane Synonym
- Trichloro(2-trichlorosilylethyl)silane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 296.94 g/mol | CAS Common Chemistry |
| 296.94399999999996 g/mol | RDKit | |
| 296.944 g/mol | RDKit | |
| 296.926 g/mol | chempirical lib | |
| Density | 1.48 g/cm³ | CAS Common Chemistry |
| 1.482 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 201 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](Cl)(Cl)CC[Si](Cl)(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C2H4Cl6Si2/c3-9(4,5)1-2-10(6,7)8/h1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=WDVUXWDZTPZIIE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 24-25 °C | CAS Common Chemistry |
| Name | 1,1′-(1,2-Ethanediyl)bis[1,1,1-trichlorosilane] | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.297000000000001 | RDKit |
| 4.297 | RDKit | |
| Molar Refractivity | 56.240000000000016 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 293.798269268 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| 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.
External Resources
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MW = 296.94 g/mol; density = 1.480 g/mL. Edit any field — others recompute live.
