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Molecule
Chloro(Dichloromethyl)Dimethylsilane
CAS: 18171-59-0 · C3H7Cl3Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 18171-59-0
- Molecular Formula
- C3H7Cl3Si
- Molecular Mass
- 177.53 g/mol
Identifiers
CAS Registry Number
18171-59-0
SMILES
C[Si](C)(Cl)C(Cl)Cl
InChI Key
OICVMMJHLFRGHF-UHFFFAOYSA-N
InChI
InChI=1S/C3H7Cl3Si/c1-7(2,6)3(4)5/h3H,1-2H3
Names and Synonyms
- Chloro(Dichloromethyl)Dimethylsilane Synonym
- Silane, chloro(dichloromethyl)dimethyl- Synonym
- Chloro(dichloromethyl)dimethylsilane Synonym
- (Dichloromethyl)dimethylchlorosilane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 177.53 g/mol | CAS Common Chemistry |
| 177.534 g/mol | RDKit | |
| 177.525 g/mol | chempirical lib | |
| 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 |
| 2.7732 | RDKit | |
| Molar Refractivity | 38.829000000000015 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 175.938259794 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
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100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 177.53 g/mol; density = 1.240 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H7Cl3Si.
