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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
Names and Synonyms:
Triphenyltin Hydroxide
Stannane, hydroxytriphenyl-
Triphenyltin hydroxide
Hydroxytriphenylstannane
Dowco 186
ENT 28009
Du-Ter
Fentin hydroxide
Hydroxytriphenyltin
TPTH
Triphenylstannanol
K 19
Tenhide
Fenolovo
Erithane
Vancide KS
Triphenylhydroxytin
Triphenylstannyl hydroxide
Sunitron H
Triphenyl(hydroxo)stannane
SuperTin
NSC 113243
Triphenylhydroxystannane
Identifiers:
SMILES:
[OH-].[Sn+].[c]1ccccc1.[c]1ccccc1.[c]1ccccc1
InChI:
InChI=1S/3C6H5.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H2;/q;;;;+1/p-1
Key Properties
Melting Point
119 °C
CAS Common Chemistry
Density
1.54 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 | 367.04 g/mol | CAS Common Chemistry |
| 367.03600000000006 g/mol | RDKit | |
| 368.022309832 g/mol | RDKit | |
| Density | 1.54 g/cm³ | CAS Common Chemistry |
| 1.54 g/cm3 @ Temp: 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 |
| Molar Refractivity | 83.52380000000004 | RDKit |
