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Molecule
(Chloroethenylmethylsilyl)Benzene
CAS: 17306-05-7 · C9H11ClSi
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 17306-05-7
- Molecular Formula
- C9H11ClSi
- Molecular Mass
- 182.73 g/mol
Identifiers
CAS Registry Number
17306-05-7
SMILES
C=C[Si](C)(Cl)c1ccccc1
InChI Key
GSXJAPJSIVGONK-UHFFFAOYSA-N
InChI
InChI=1S/C9H11ClSi/c1-3-11(2,10)9-7-5-4-6-8-9/h3-8H,1H2,2H3
Names and Synonyms
- (Chloroethenylmethylsilyl)Benzene Synonym
- Benzene, (chloroethenylmethylsilyl)- Synonym
- Silane, chloromethylphenylvinyl- Synonym
- Silane, chloroethenylmethylphenyl- Synonym
- (Chloroethenylmethylsilyl)benzene Synonym
- Phenyl(vinyl)methyl(chloro)silane Synonym
- Chloromethylphenylvinylsilane Synonym
- Vinylmethyl(phenyl)chlorosilane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 182.73 g/mol | CAS Common Chemistry |
| 182.72600000000003 g/mol | RDKit | |
| 182.726 g/mol | RDKit | |
| 182.723 g/mol | chempirical lib | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.034 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | Cl[Si](C=C)(C=1C=CC=CC1)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H11ClSi/c1-3-11(2,10)9-7-5-4-6-8-9/h3-8H,1H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GSXJAPJSIVGONK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (Chloroethenylmethylsilyl)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 | 2.4329 | RDKit |
| Molar Refractivity | 53.74400000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1111 | RDKit |
| 0.11 | chempirical lib | |
| Exact Mass | 182.031854562 g/mol | RDKit |
| Boiling Point | 79-80 °C @ 3-4 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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.
External Resources
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MW = 182.73 g/mol; density = 1.030 g/mL. Edit any field — others recompute live.
