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Molecule
(Dichlorosilyl)Benzene
CAS: 1631-84-1 · C6H6Cl2Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1631-84-1
- Molecular Formula
- C6H6Cl2Si
- Molecular Mass
- 177.11 g/mol
Identifiers
CAS Registry Number
1631-84-1
SMILES
Cl[SiH](Cl)c1ccccc1
InChI Key
VIRVTHOOZABTPR-UHFFFAOYSA-N
InChI
InChI=1S/C6H6Cl2Si/c7-9(8)6-4-2-1-3-5-6/h1-5,9H
Names and Synonyms
- (Dichlorosilyl)Benzene Common Name
- Benzene, (dichlorosilyl)- Synonym
- Silane, dichlorophenyl- Synonym
- (Dichlorosilyl)benzene Synonym
- Dichlorophenylsilane Synonym
- Phenyldichlorosilane Synonym
- NSC 139846 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 177.11 g/mol | CAS Common Chemistry |
| 177.10600000000002 g/mol | RDKit | |
| 177.106 g/mol | RDKit | |
| 177.1 g/mol | chempirical lib | |
| Density | 1.21 g/cm³ | CAS Common Chemistry |
| 1.211 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 181 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[SiH](Cl)C=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H6Cl2Si/c7-9(8)6-4-2-1-3-5-6/h1-5,9H | CAS Common Chemistry |
| InChI Key | InChIKey=VIRVTHOOZABTPR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (Dichlorosilyl)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 | 1.5917 | RDKit |
| Molar Refractivity | 44.93100000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 175.961582082 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
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 = 177.11 g/mol; density = 1.210 g/mL. Edit any field — others recompute live.
