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Molecule
1,1′-(Difluorosilylene)Bis[Benzene]
CAS: 312-40-3 · C12H10F2Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 312-40-3
- Molecular Formula
- C12H10F2Si
- Molecular Mass
- 220.29 g/mol
Identifiers
CAS Registry Number
312-40-3
SMILES
F[Si](F)(c1ccccc1)c1ccccc1
InChI Key
BOMPXIHODLVNMC-UHFFFAOYSA-N
InChI
InChI=1S/C12H10F2Si/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
Names and Synonyms
- 1,1′-(Difluorosilylene)Bis[Benzene] Synonym
- Benzene, 1,1′-(difluorosilylene)bis- Synonym
- Silane, difluorodiphenyl- Synonym
- 1,1′-(Difluorosilylene)bis[benzene] Synonym
- Diphenyldifluorosilane Synonym
- Difluorodiphenylsilane Synonym
- Diphenylsilane difluoride Synonym
- NSC 136542 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 220.29 g/mol | CAS Common Chemistry |
| 220.294 g/mol | RDKit | |
| Density | 1.15 g/cm³ | CAS Common Chemistry |
| 1.145 g/cm3 @ 17 °C | CAS Common Chemistry | |
| Canonical SMILES | F[Si](F)(C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10F2Si/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H | CAS Common Chemistry |
| InChI Key | InChIKey=BOMPXIHODLVNMC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1′-(Difluorosilylene)bis[benzene] | CAS Common Chemistry |
| Heavy Atom Count | 15 | 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 | 2.1820000000000004 | RDKit |
| 2.182 | RDKit | |
| Molar Refractivity | 60.122000000000035 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 220.05198329 g/mol | RDKit |
| Boiling Point | 156 °C @ 50 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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40
20
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| Shift (ppm) | DEPT | Assignment |
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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 = 220.29 g/mol; density = 1.150 g/mL. Edit any field — others recompute live.
