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1,4-Bis(Trimethylsilyl)Benzene
CAS: 13183-70-5 | C12H22Si2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13183-70-5
Molecular Formula:
C12H22Si2
Molecular Mass:
222.48 g/mol
Names and Synonyms:
1,4-Bis(Trimethylsilyl)Benzene
Benzene, 1,4-bis(trimethylsilyl)-
Silane, p-phenylenebis[trimethyl-
Silane, 1,4-phenylenebis[trimethyl-
1,4-Bis(trimethylsilyl)benzene
p-Bis(trimethylsilyl)benzene
1,4-Phenylenebis(trimethylsilane)
Identifiers:
SMILES:
C[Si](C)(C)c1ccc([Si](C)(C)C)cc1
InChI:
InChI=1S/C12H22Si2/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h7-10H,1-6H3
Key Properties
Boiling Point
194-195 °C
CAS Common Chemistry
Melting Point
92-94 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 222.48 g/mol | CAS Common Chemistry |
| 222.47999999999996 g/mol | RDKit | |
| 222.126003764 g/mol | RDKit | |
| Boiling Point | 194-195 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=C(C=CC1[Si](C)(C)C)[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H22Si2/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h7-10H,1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NVRBTKMAZQNKPX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 92-94 °C | CAS Common Chemistry |
| Name | 1,4-Bis(trimethylsilyl)benzene | CAS Common Chemistry |
| Heavy Atom Count | 14 | 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 | 2.777000000000001 | RDKit |
| Molar Refractivity | 72.40200000000004 | RDKit |
