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Tripropyltin Chloride
CAS: 2279-76-7 | C9H21ClSn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2279-76-7
Molecular Formula:
C9H21ClSn
Molecular Mass:
283.43 g/mol
Names and Synonyms:
Tripropyltin Chloride
Stannane, chlorotripropyl-
Tripropyltin chloride
Tin, chlorotripropyl-
Chlorotripropylstannane
Tripropylstannyl chloride
Tri-n-propyltin chloride
Tripropylchlorostannane
Chlorotripropyltin
Identifiers:
SMILES:
[CH2]CC.[CH2]CC.[CH2]CC.[Cl-].[Sn+]
InChI:
InChI=1S/3C3H7.ClH.Sn/c3*1-3-2;;/h3*1,3H2,2H3;1H;/q;;;;+1/p-1
Key Properties
Boiling Point
122-123 °C @ Press: 10 Torr
CAS Common Chemistry
Melting Point
-23.5 °C
CAS Common Chemistry
Density
1.27 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 | 283.43 g/mol | CAS Common Chemistry |
| 283.431 g/mol | RDKit | |
| 284.035373052 g/mol | RDKit | |
| Density | 1.27 g/cm³ | CAS Common Chemistry |
| 1.2740 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 122-123 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | Cl[Sn](CCC)(CCC)CCC | CAS Common Chemistry |
| InChI | InChI=1S/3C3H7.ClH.Sn/c3*1-3-2;;/h3*1,3H2,2H3;1H;/q;;;;+1/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=FVFLIQMADUVDSP-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | -23.5 °C | CAS Common Chemistry |
| Name | Tripropyltin chloride | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 0.31467000000000067 | RDKit |
| Molar Refractivity | 52.698000000000036 | RDKit |
