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Molecule
Tetraphenyltin
CAS: 595-90-4 · C24H20Sn
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 595-90-4
- Molecular Formula
- C24H20Sn
- Molecular Mass
- 427.14 g/mol
Identifiers
CAS Registry Number
595-90-4
SMILES
[Sn].[c]1ccccc1.[c]1ccccc1.[c]1ccccc1.[c]1ccccc1
InChI Key
CRHIAMBJMSSNNM-UHFFFAOYSA-N
InChI
InChI=1S/4C6H5.Sn/c4*1-2-4-6-5-3-1;/h4*1-5H;
Names and Synonyms
- Tetraphenyltin Synonym
- Stannane, tetraphenyl- Synonym
- Tetraphenylstannane Synonym
- Tetraphenyltin Synonym
- NSC 2094 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 427.14 g/mol | CAS Common Chemistry |
| 427.13500000000016 g/mol | RDKit | |
| 428.05869534 g/mol | RDKit | |
| 433.182 g/mol | chempirical lib | |
| Density | 1.49 g/cm³ | CAS Common Chemistry |
| 1.49 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 420 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)[Sn](C=2C=CC=CC2)(C=3C=CC=CC3)C=4C=CC=CC4 | CAS Common Chemistry |
| InChI | InChI=1S/4C6H5.Sn/c4*1-2-4-6-5-3-1;/h4*1-5H; | CAS Common Chemistry |
| InChI Key | InChIKey=CRHIAMBJMSSNNM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 228 °C | CAS Common Chemistry |
| Name | Tetraphenyltin | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 5.566360000000005 | RDKit |
| 5.5664 | RDKit | |
| 5.32 | chempirical lib | |
| Molar Refractivity | 106.86600000000003 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 427.135 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 427.14 g/mol; density = 1.490 g/mL. Edit any field — others recompute live.
