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Molecule
Chloro(3-Chloropropyl)Dimethylsilane
CAS: 10605-40-0 · C5H12Cl2Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10605-40-0
- Molecular Formula
- C5H12Cl2Si
- Molecular Mass
- 171.14 g/mol
Identifiers
CAS Registry Number
10605-40-0
SMILES
C[Si](C)(Cl)CCCCl
InChI Key
BJLJNLUARMMMLW-UHFFFAOYSA-N
InChI
InChI=1S/C5H12Cl2Si/c1-8(2,7)5-3-4-6/h3-5H2,1-2H3
Names and Synonyms
- Chloro(3-Chloropropyl)Dimethylsilane Synonym
- Silane, chloro(3-chloropropyl)dimethyl- Synonym
- Chloro(3-chloropropyl)dimethylsilane Synonym
- (3-Chloropropyl)dimethylchlorosilane Synonym
- (3-Chloropropyl)dimethylsilyl chloride Synonym
- 3-(Chlorodimethylsilyl)propyl chloride Synonym
- Dimethyl(3-chloropropyl)chlorosilane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 171.14 g/mol | CAS Common Chemistry |
| 171.143 g/mol | RDKit | |
| 171.137 g/mol | chempirical lib | |
| Density | 1.04 g/cm³ | CAS Common Chemistry |
| 1.043 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Boiling Point | 179 °C | CAS Common Chemistry |
| Canonical SMILES | ClCCC[Si](Cl)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H12Cl2Si/c1-8(2,7)5-3-4-6/h3-5H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BJLJNLUARMMMLW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Chloro(3-chloropropyl)dimethylsilane | 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 | 3.0592000000000015 | RDKit |
| 3.0592 | RDKit | |
| Molar Refractivity | 43.47900000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 170.008532274 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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 = 171.14 g/mol; density = 1.040 g/mL. Edit any field — others recompute live.
