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Molecule
Triphenyltin Hydroxide
CAS: 76-87-9 · C18H16OSn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 76-87-9
- Molecular Formula
- C18H16OSn
- Molecular Mass
- 367.04 g/mol
Identifiers
CAS Registry Number
76-87-9
SMILES
[OH-].[Sn+].[c]1ccccc1.[c]1ccccc1.[c]1ccccc1
InChI Key
BFWMWWXRWVJXSE-UHFFFAOYSA-M
InChI
InChI=1S/3C6H5.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H2;/q;;;;+1/p-1
Names and Synonyms
- Triphenyltin Hydroxide Common Name
- Stannane, hydroxytriphenyl- Synonym
- Triphenyltin hydroxide Synonym
- Hydroxytriphenylstannane Synonym
- Dowco 186 Synonym
- ENT 28009 Synonym
- Du-Ter Synonym
- Fentin hydroxide Synonym
- Hydroxytriphenyltin Synonym
- TPTH Synonym
- Triphenylstannanol Synonym
- K 19 Synonym
- Tenhide Synonym
- Fenolovo Synonym
- Erithane Synonym
- Vancide KS Synonym
- Triphenylhydroxytin Synonym
- Triphenylstannyl hydroxide Synonym
- Sunitron H Synonym
- Triphenyl(hydroxo)stannane Synonym
- SuperTin Synonym
- NSC 113243 Synonym
- Triphenylhydroxystannane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 367.04 g/mol | CAS Common Chemistry |
| 367.03600000000006 g/mol | RDKit | |
| 368.022309832 g/mol | RDKit | |
| 373.083 g/mol | chempirical lib | |
| Density | 1.54 g/cm³ | CAS Common Chemistry |
| 1.54 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Triphenyltin_hydroxide | CAS Common Chemistry |
| Canonical SMILES | O[Sn](C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/3C6H5.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H2;/q;;;;+1/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=BFWMWWXRWVJXSE-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 119 °C | CAS Common Chemistry |
| Name | Triphenyltin hydroxide | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 30.0 Ų | RDKit |
| LogP | 3.902770000000003 | RDKit |
| 3.9028 | RDKit | |
| 4.01 | chempirical lib | |
| Molar Refractivity | 83.52380000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 367.036 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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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 = 367.04 g/mol; density = 1.540 g/mL. Edit any field — others recompute live.
