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Methyldiphenylsilane
CAS: 776-76-1 | C13H14Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
776-76-1
Molecular Formula:
C13H14Si
Molecular Mass:
198.34 g/mol
Names and Synonyms:
Methyldiphenylsilane
Benzene, 1,1′-(methylsilylene)bis-
Silane, methyldiphenyl-
1,1′-(Methylsilylene)bis[benzene]
Diphenylmethylsilane
Methyldiphenylsilane
NSC 111638
SID 4555.0
LS 4880
Identifiers:
SMILES:
C[SiH](c1ccccc1)c1ccccc1
InChI:
InChI=1S/C13H14Si/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3
Key Properties
Boiling Point
266-267 °C
CAS Common Chemistry
Density
1.00 g/cm³
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 | 198.34 g/mol | CAS Common Chemistry |
| 198.34099999999998 g/mol | RDKit | |
| 198.086476978 g/mol | RDKit | |
| Density | 1.00 g/cm³ | CAS Common Chemistry |
| 0.997 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 266-267 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)[SiH](C=2C=CC=CC2)C | CAS Common Chemistry |
| InChI | InChI=1S/C13H14Si/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FULSRCPEOUATID-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Methyldiphenylsilane | 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 | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.6577 | RDKit |
| Molar Refractivity | 65.16500000000003 | RDKit |
