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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
Names and Synonyms:
Allyltrichlorosilane
Silane, trichloro-2-propen-1-yl-
Silane, allyltrichloro-
Silane, trichloro-2-propenyl-
Trichloro-2-propen-1-ylsilane
Allyltrichlorosilane
Propen-3-yltrichlorosilane
NSC 20940
Trichloro(2-propenyl)silane
Identifiers:
SMILES:
C=CC[Si](Cl)(Cl)Cl
InChI:
InChI=1S/C3H5Cl3Si/c1-2-3-7(4,5)6/h2H,1,3H2
Key Properties
Boiling Point
117.5 °C
CAS Common Chemistry
Melting Point
35 °C
CAS Common Chemistry
Density
1.20 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 175.52 g/mol | CAS Common Chemistry |
| 175.518 g/mol | RDKit | |
| 173.92260973 g/mol | RDKit | |
| Density | 1.20 g/cm³ | CAS Common Chemistry |
| 1.2011 g/cm3 @ Temp: 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 |
| Allyltrichlorosilane | 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 |
| Molar Refractivity | 38.317000000000014 | RDKit |
