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Molecule
[(Chlorodimethylsilyl)Methyl]Benzene
CAS: 1833-31-4 · C9H13ClSi
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1833-31-4
- Molecular Formula
- C9H13ClSi
- Molecular Mass
- 184.74 g/mol
Identifiers
CAS Registry Number
1833-31-4
SMILES
C[Si](C)(Cl)Cc1ccccc1
InChI Key
ABHNFDUSOVXXOA-UHFFFAOYSA-N
InChI
InChI=1S/C9H13ClSi/c1-11(2,10)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
Names and Synonyms
- [(Chlorodimethylsilyl)Methyl]Benzene Common Name
- Benzene, [(chlorodimethylsilyl)methyl]- Synonym
- Silane, benzylchlorodimethyl- Synonym
- Silane, chlorodimethyl(phenylmethyl)- Synonym
- [(Chlorodimethylsilyl)methyl]benzene Synonym
- Benzyldimethylchlorosilane Synonym
- Benzylchlorodimethylsilane Synonym
- Benzyldimethylsilyl chloride Synonym
- Phenylmethylchlorodimethylsilane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 184.74 g/mol | CAS Common Chemistry |
| 184.74200000000002 g/mol | RDKit | |
| 184.742 g/mol | RDKit | |
| 184.739 g/mol | chempirical lib | |
| Density | 0.95 g/cm³ | CAS Common Chemistry |
| 0.949 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | Cl[Si](C)(C)CC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H13ClSi/c1-11(2,10)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ABHNFDUSOVXXOA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | [(Chlorodimethylsilyl)methyl]benzene | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.212200000000002 | RDKit |
| 3.2122 | RDKit | |
| 3.25 | chempirical lib | |
| Molar Refractivity | 53.48100000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 184.047504626 g/mol | RDKit |
| Boiling Point | 75-76 °C @ 15 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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 = 184.74 g/mol; density = 0.950 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H13ClSi.
