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Diphenylsilane
CAS: 775-12-2 | C12H12Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
775-12-2
Molecular Formula:
C12H12Si
Molecular Mass:
184.31 g/mol
Names and Synonyms:
Diphenylsilane
Benzene, 1,1′-silylenebis-
Silane, diphenyl-
1,1′-Silylenebis[benzene]
Diphenylsilane
TSL 8224
NSC 33013
SID 4559.0
Identifiers:
SMILES:
c1ccc([SiH2]c2ccccc2)cc1
InChI:
InChI=1S/C12H12Si/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H,13H2
Key Properties
Boiling Point
95-97 °C @ Press: 13 Torr
CAS Common Chemistry
Melting Point
79 °C @ Solvent: Pentane
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 | 184.31 g/mol | CAS Common Chemistry |
| 184.31400000000002 g/mol | RDKit | |
| 184.070826914 g/mol | RDKit | |
| Density | 1.00 g/cm³ | CAS Common Chemistry |
| 0.996 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 95-97 °C @ Press: 13 Torr | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)[SiH2]C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H12Si/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H,13H2 | CAS Common Chemistry |
| InChI Key | InChIKey=VDCSGNNYCFPWFK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 79 °C @ Solvent: Pentane | CAS Common Chemistry |
| Name | Diphenylsilane | CAS Common Chemistry |
| Heavy Atom Count | 13 | 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 | 0.8061999999999999 | RDKit |
| Molar Refractivity | 60.69600000000003 | RDKit |
