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Triphenyltin Chloride
CAS: 639-58-7 | C18H15ClSn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
639-58-7
Molecular Formula:
C18H15ClSn
Molecular Mass:
385.48 g/mol
Names and Synonyms:
Triphenyltin Chloride
Stannane, chlorotriphenyl-
Triphenyltin chloride
Chlorotriphenylstannane
LS 4442
GC 8993
General Chemicals 8993
TPTC
HOE 2872
Brestanol
Fentin chloride
Chlorotriphenyltin
Triphenylchlorostannane
Triphenylstannyl chloride
Triphenylchlorotin
Triphenyltin monochloride
Aquatin
Wenqukexing
NSC 1214
NSC 43675
Identifiers:
SMILES:
[Cl-].[Sn+].[c]1ccccc1.[c]1ccccc1.[c]1ccccc1
InChI:
InChI=1S/3C6H5.ClH.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H;/q;;;;+1/p-1
Key Properties
Boiling Point
240 °C @ Press: 13.5 Torr
CAS Common Chemistry
Melting Point
103.5 °C
CAS Common Chemistry
Density
1.40 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 | 385.48 g/mol | CAS Common Chemistry |
| 385.4820000000001 g/mol | RDKit | |
| 385.98842286 g/mol | RDKit | |
| Density | 1.40 g/cm³ | CAS Common Chemistry |
| 1.4 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Triphenyltin_chloride | CAS Common Chemistry |
| Boiling Point | 240 °C @ Press: 13.5 Torr | CAS Common Chemistry |
| Canonical SMILES | Cl[Sn](C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/3C6H5.ClH.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H;/q;;;;+1/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=NJVOZLGKTAPUTQ-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 103.5 °C | CAS Common Chemistry |
| Name | Triphenyltin chloride | CAS Common Chemistry |
| Heavy Atom Count | 20 | 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 | 1.0835700000000004 | RDKit |
| Molar Refractivity | 81.58800000000005 | RDKit |
