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Molecule
Triphenyltin Hydride
CAS: 892-20-6 · C18H16Sn
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 892-20-6
- Molecular Formula
- C18H16Sn
- Molecular Mass
- 351.04 g/mol
Identifiers
CAS Registry Number
892-20-6
SMILES
[H].[Sn].[c]1ccccc1.[c]1ccccc1.[c]1ccccc1
InChI Key
NFHRNKANAAGQOH-UHFFFAOYSA-N
InChI
InChI=1S/3C6H5.Sn.H/c3*1-2-4-6-5-3-1;;/h3*1-5H;;
Names and Synonyms
- Triphenyltin Hydride Synonym
- Stannane, triphenyl- Synonym
- Tin, triphenyl-, hydride Synonym
- Triphenylstannane Synonym
- Triphenyltin hydride Synonym
- Triphenylstannyl hydride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 351.04 g/mol | CAS Common Chemistry |
| 351.0370000000001 g/mol | RDKit | |
| 352.02739521200004 g/mol | RDKit | |
| 356.076 g/mol | chempirical lib | |
| Density | 1.37 g/cm³ | CAS Common Chemistry |
| 1.374 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Triphenyltin_hydride | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)[SnH](C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/3C6H5.Sn.H/c3*1-2-4-6-5-3-1;;/h3*1-5H;; | CAS Common Chemistry |
| InChI Key | InChIKey=NFHRNKANAAGQOH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 26-28 °C | CAS Common Chemistry |
| Name | Triphenylstannane | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.192070000000003 | RDKit |
| 4.1921 | RDKit | |
| 4.18 | chempirical lib | |
| Molar Refractivity | 82.70000000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 351.037 g/mol | RDKit |
| Boiling Point | 165 °C @ 0.3 Torr | CAS Common Chemistry |
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 = 351.04 g/mol; density = 1.370 g/mL. Edit any field — others recompute live.
