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Molecule
Chloro(Methyl)Diphenylsilane
CAS: 144-79-6 · C13H13ClSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 144-79-6
- Molecular Formula
- C13H13ClSi
- Molecular Mass
- 232.79 g/mol
Identifiers
CAS Registry Number
144-79-6
SMILES
C[Si](Cl)(c1ccccc1)c1ccccc1
InChI Key
OJZNZOXALZKPEA-UHFFFAOYSA-N
InChI
InChI=1S/C13H13ClSi/c1-15(14,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
Names and Synonyms
- Chloro(Methyl)Diphenylsilane Common Name
- Benzene, 1,1′-(chloromethylsilylene)bis- Synonym
- Silane, chloromethyldiphenyl- Synonym
- 1,1′-(Chloromethylsilylene)bis[benzene] Synonym
- Diphenyl(methyl)chlorosilane Synonym
- Methyldiphenylchlorosilane Synonym
- Chloro(methyl)diphenylsilane Synonym
- Methyldiphenylsilyl chloride Synonym
- Chlorodiphenylmethylsilane Synonym
- TSL 8066 Synonym
- Diphenyl(methyl)silyl chloride Synonym
- NSC 93961 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 232.79 g/mol | CAS Common Chemistry |
| 232.78600000000003 g/mol | RDKit | |
| 232.786 g/mol | RDKit | |
| 232.783 g/mol | chempirical lib | |
| Density | 1.13 g/cm³ | CAS Common Chemistry |
| 1.128 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 295 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](C=1C=CC=CC1)(C=2C=CC=CC2)C | CAS Common Chemistry |
| InChI | InChI=1S/C13H13ClSi/c1-15(14,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OJZNZOXALZKPEA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -22 °C | CAS Common Chemistry |
| Name | Chloro(methyl)diphenylsilane | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.6149000000000004 | RDKit |
| 2.6149 | RDKit | |
| Molar Refractivity | 69.62300000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0769 | RDKit |
| 0.08 | chempirical lib | |
| Exact Mass | 232.047504626 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
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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 = 232.79 g/mol; density = 1.130 g/mL. Edit any field — others recompute live.
