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Molecule
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
- 385.4820000000001 g/mol
Identifiers
CAS Registry Number
639-58-7
SMILES
[Cl-].[Sn+].[c]1ccccc1.[c]1ccccc1.[c]1ccccc1
InChI Key
NJVOZLGKTAPUTQ-UHFFFAOYSA-M
InChI
InChI=1S/3C6H5.ClH.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H;/q;;;;+1/p-1
Names and Synonyms
- Triphenyltin Chloride Common Name
- Stannane, chlorotriphenyl- Synonym
- Triphenyltin chloride Synonym
- Chlorotriphenylstannane Synonym
- LS 4442 Synonym
- GC 8993 Synonym
- General Chemicals 8993 Synonym
- TPTC Synonym
- HOE 2872 Synonym
- Brestanol Synonym
- Fentin chloride Synonym
- Chlorotriphenyltin Synonym
- Triphenylchlorostannane Synonym
- Triphenylstannyl chloride Synonym
- Triphenylchlorotin Synonym
- Triphenyltin monochloride Synonym
- Aquatin Synonym
- Wenqukexing Synonym
- NSC 1214 Synonym
- NSC 43675 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| 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 |
| 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 |
| Molecular Mass | 385.4820000000001 g/mol | RDKit |
| 385.98842286 g/mol | RDKit | |
| 385.482 g/mol | RDKit | |
| 391.526 g/mol | chempirical lib | |
| 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 |
| 1.0836 | RDKit | |
| Molar Refractivity | 81.58800000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 385.48 g/mol | CAS Common Chemistry |
| Boiling Point | 240 °C @ 13.5 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 385.48 g/mol; density = 1.400 g/mL. Edit any field — others recompute live.
