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Molecule
Propyltrichlorosilane
CAS: 141-57-1 · C3H7Cl3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 141-57-1
- Molecular Formula
- C3H7Cl3Si
- Molecular Mass
- 177.53 g/mol
Identifiers
CAS Registry Number
141-57-1
SMILES
CCC[Si](Cl)(Cl)Cl
InChI Key
DOEHJNBEOVLHGL-UHFFFAOYSA-N
InChI
InChI=1S/C3H7Cl3Si/c1-2-3-7(4,5)6/h2-3H2,1H3
Names and Synonyms
- Propyltrichlorosilane Common Name
- Silane, trichloropropyl- Synonym
- Trichloropropylsilane Synonym
- Propyltrichlorosilane Synonym
- Trichloro-n-propylsilane Synonym
- n-Propyltrichlorosilane Synonym
- NSC 93878 Synonym
- Dynasylan PTCS Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 177.53 g/mol | CAS Common Chemistry |
| 177.534 g/mol | RDKit | |
| 177.525 g/mol | chempirical lib | |
| Density | 1.20 g/cm³ | CAS Common Chemistry |
| 1.195 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 123.5 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](Cl)(Cl)CCC | CAS Common Chemistry |
| InChI | InChI=1S/C3H7Cl3Si/c1-2-3-7(4,5)6/h2-3H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DOEHJNBEOVLHGL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Propyltrichlorosilane | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.051700000000001 | RDKit |
| 3.0517 | RDKit | |
| Molar Refractivity | 38.411000000000016 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 175.938259794 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 = 177.53 g/mol; density = 1.200 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H7Cl3Si.
