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Chloro(Dichloromethyl)Dimethylsilane
CAS: 18171-59-0 | C3H7Cl3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
18171-59-0
Molecular Formula:
C3H7Cl3Si
Molecular Mass:
177.53 g/mol
Names and Synonyms:
Chloro(Dichloromethyl)Dimethylsilane
Silane, chloro(dichloromethyl)dimethyl-
Chloro(dichloromethyl)dimethylsilane
(Dichloromethyl)dimethylchlorosilane
Identifiers:
SMILES:
C[Si](C)(Cl)C(Cl)Cl
InChI:
InChI=1S/C3H7Cl3Si/c1-7(2,6)3(4)5/h3H,1-2H3
Key Properties
Boiling Point
149 °C
CAS Common Chemistry
Melting Point
-48 °C
CAS Common Chemistry
Density
1.24 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 | 177.53 g/mol | CAS Common Chemistry |
| 177.534 g/mol | RDKit | |
| 175.938259794 g/mol | RDKit | |
| Density | 1.24 g/cm³ | CAS Common Chemistry |
| 1.237 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 149 °C | CAS Common Chemistry |
| Canonical SMILES | ClC(Cl)[Si](Cl)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H7Cl3Si/c1-7(2,6)3(4)5/h3H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OICVMMJHLFRGHF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -48 °C | CAS Common Chemistry |
| Name | Chloro(dichloromethyl)dimethylsilane | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.773200000000001 | RDKit |
| Molar Refractivity | 38.829000000000015 | RDKit |
