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Molecule
(3-Chloropropyl)Trichlorosilane
CAS: 2550-06-3 · C3H6Cl4Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2550-06-3
- Molecular Formula
- C3H6Cl4Si
- Molecular Mass
- 211.98 g/mol
Identifiers
CAS Registry Number
2550-06-3
SMILES
ClCCC[Si](Cl)(Cl)Cl
InChI Key
OOXSLJBUMMHDKW-UHFFFAOYSA-N
InChI
InChI=1S/C3H6Cl4Si/c4-2-1-3-8(5,6)7/h1-3H2
Names and Synonyms
- (3-Chloropropyl)Trichlorosilane Synonym
- Silane, trichloro(3-chloropropyl)- Synonym
- Trichloro(3-chloropropyl)silane Synonym
- (γ-Chloropropyl)trichlorosilane Synonym
- (3-Chloropropyl)trichlorosilane Synonym
- NSC 139831 Synonym
- 1-Chloro-3-(trichlorosilyl)propane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 211.98 g/mol | CAS Common Chemistry |
| 211.979 g/mol | RDKit | |
| 211.967 g/mol | chempirical lib | |
| Density | 1.36 g/cm³ | CAS Common Chemistry |
| 1.359 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 181.5 °C | CAS Common Chemistry |
| Canonical SMILES | ClCCC[Si](Cl)(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C3H6Cl4Si/c4-2-1-3-8(5,6)7/h1-3H2 | CAS Common Chemistry |
| InChI Key | InChIKey=OOXSLJBUMMHDKW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (3-Chloropropyl)trichlorosilane | CAS Common Chemistry |
| Heavy Atom Count | 8 | 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 | 3.270600000000001 | RDKit |
| 3.2706 | RDKit | |
| Molar Refractivity | 43.457000000000015 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 209.899287442 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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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 = 211.98 g/mol; density = 1.360 g/mL. Edit any field — others recompute live.
