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Dichloro(3-Chloropropyl)Methylsilane
CAS: 7787-93-1 | C4H9Cl3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7787-93-1
Molecular Formula:
C4H9Cl3Si
Molecular Mass:
191.56 g/mol
Names and Synonyms:
Dichloro(3-Chloropropyl)Methylsilane
Silane, dichloro(3-chloropropyl)methyl-
Dichloro(3-chloropropyl)methylsilane
3-Chloropropylmethyldichlorosilane
3-Chloropropyldichloromethylsilane
γ-Chloropropylmethyldichlorosilane
Identifiers:
SMILES:
C[Si](Cl)(Cl)CCCCl
InChI:
InChI=1S/C4H9Cl3Si/c1-8(6,7)4-2-3-5/h2-4H2,1H3
Key Properties
Boiling Point
68-70 °C @ Press: 15 Torr
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 | 191.56 g/mol | CAS Common Chemistry |
| 191.56099999999998 g/mol | RDKit | |
| 189.953909858 g/mol | RDKit | |
| Density | 1.20 g/cm³ | CAS Common Chemistry |
| 1.204 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 68-70 °C @ Press: 15 Torr | CAS Common Chemistry |
| Canonical SMILES | ClCCC[Si](Cl)(Cl)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H9Cl3Si/c1-8(6,7)4-2-3-5/h2-4H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UCJHMXXKIKBHQP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Dichloro(3-chloropropyl)methylsilane | 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 | 3.164900000000002 | RDKit |
| Molar Refractivity | 43.46800000000002 | RDKit |
