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Molecule
Allyltrichlorosilane
CAS: 107-37-9 · C3H5Cl3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 107-37-9
- Molecular Formula
- C3H5Cl3Si
- Molecular Mass
- 175.52 g/mol
Identifiers
CAS Registry Number
107-37-9
SMILES
C=CC[Si](Cl)(Cl)Cl
InChI Key
HKFSBKQQYCMCKO-UHFFFAOYSA-N
InChI
InChI=1S/C3H5Cl3Si/c1-2-3-7(4,5)6/h2H,1,3H2
Names and Synonyms
- Allyltrichlorosilane Common Name
- Silane, trichloro-2-propen-1-yl- Synonym
- Silane, allyltrichloro- Synonym
- Silane, trichloro-2-propenyl- Synonym
- Trichloro-2-propen-1-ylsilane Synonym
- Allyltrichlorosilane Synonym
- Propen-3-yltrichlorosilane Synonym
- NSC 20940 Synonym
- Trichloro(2-propenyl)silane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 175.52 g/mol | CAS Common Chemistry |
| 175.518 g/mol | RDKit | |
| 175.509 g/mol | chempirical lib | |
| Density | 1.20 g/cm³ | CAS Common Chemistry |
| 1.2011 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Allyltrichlorosilane | CAS Common Chemistry |
| Boiling Point | 117.5 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](Cl)(Cl)CC=C | CAS Common Chemistry |
| InChI | InChI=1S/C3H5Cl3Si/c1-2-3-7(4,5)6/h2H,1,3H2 | CAS Common Chemistry |
| InChI Key | InChIKey=HKFSBKQQYCMCKO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 35 °C | CAS Common Chemistry |
| Name | Trichloro-2-propen-1-ylsilane | 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 | 2.827700000000001 | RDKit |
| 2.8277 | RDKit | |
| 3.0 | chempirical lib | |
| Molar Refractivity | 38.317000000000014 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 173.92260973 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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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Quick conversion
MW = 175.52 g/mol; density = 1.200 g/mL. Edit any field — others recompute live.
