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Molecule
Chlorodimethylphenylsilane
CAS: 768-33-2 · C8H11ClSi
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 768-33-2
- Molecular Formula
- C8H11ClSi
- Molecular Mass
- 170.71 g/mol
Identifiers
CAS Registry Number
768-33-2
SMILES
C[Si](C)(Cl)c1ccccc1
InChI Key
KWYZNESIGBQHJK-UHFFFAOYSA-N
InChI
InChI=1S/C8H11ClSi/c1-10(2,9)8-6-4-3-5-7-8/h3-7H,1-2H3
Names and Synonyms
- Chlorodimethylphenylsilane Synonym
- Benzene, (chlorodimethylsilyl)- Synonym
- Silane, chlorodimethylphenyl- Synonym
- (Chlorodimethylsilyl)benzene Synonym
- Dimethylphenylchlorosilane Synonym
- Chlorodimethylphenylsilane Synonym
- Phenyldimethylchlorosilane Synonym
- Dimethylphenylsilyl chloride Synonym
- Phenyldimethylsilyl chloride Synonym
- NSC 95425 Synonym
- Phenylchlorodimethylsilane Synonym
- LS 2000 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 170.71 g/mol | CAS Common Chemistry |
| 170.715 g/mol | RDKit | |
| 170.712 g/mol | chempirical lib | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.032 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 80-84 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](C=1C=CC=CC1)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H11ClSi/c1-10(2,9)8-6-4-3-5-7-8/h3-7H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KWYZNESIGBQHJK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Chlorodimethylphenylsilane | CAS Common Chemistry |
| Heavy Atom Count | 10 | 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 | 2.3375000000000004 | RDKit |
| 2.3375 | RDKit | |
| Molar Refractivity | 49.41100000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 170.031854562 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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5
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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 = 170.71 g/mol; density = 1.030 g/mL. Edit any field — others recompute live.
