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Molecule
(Chloromethylsilyl)Benzene
CAS: 1631-82-9 · C7H9ClSi
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1631-82-9
- Molecular Formula
- C7H9ClSi
- Molecular Mass
- 156.69 g/mol
Identifiers
CAS Registry Number
1631-82-9
SMILES
C[SiH](Cl)c1ccccc1
InChI Key
GVPNBWPLCHOFMX-UHFFFAOYSA-N
InChI
InChI=1S/C7H9ClSi/c1-9(8)7-5-3-2-4-6-7/h2-6,9H,1H3
Names and Synonyms
- (Chloromethylsilyl)Benzene Common Name
- Benzene, (chloromethylsilyl)- Synonym
- Silane, chloromethylphenyl- Synonym
- (Chloromethylsilyl)benzene Synonym
- Methylphenylchlorosilane Synonym
- Chloromethylphenylsilane Synonym
- Phenylmethylchlorosilane Synonym
- Chloro(phenyl)methylsilane Synonym
- Methylphenylsilyl chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 156.69 g/mol | CAS Common Chemistry |
| 156.688 g/mol | RDKit | |
| 156.685 g/mol | chempirical lib | |
| Density | 1.05 g/cm³ | CAS Common Chemistry |
| 1.054 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 176-177 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[SiH](C=1C=CC=CC1)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H9ClSi/c1-9(8)7-5-3-2-4-6-7/h2-6,9H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GVPNBWPLCHOFMX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (Chloromethylsilyl)benzene | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.4859999999999998 | RDKit |
| 1.486 | RDKit | |
| Molar Refractivity | 44.94200000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 156.016204498 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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.
External Resources
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MW = 156.69 g/mol; density = 1.050 g/mL. Edit any field — others recompute live.
