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Molecule
Bromotributylstannane
CAS: 1461-23-0 · C12H27BrSn
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1461-23-0
- Molecular Formula
- C12H27BrSn
- Molecular Mass
- 369.9629999999999 g/mol
Identifiers
CAS Registry Number
1461-23-0
SMILES
[Br-].[CH2]CCC.[CH2]CCC.[CH2]CCC.[Sn+]
InChI Key
FVRKTAOFDKFAMI-UHFFFAOYSA-M
InChI
InChI=1S/3C4H9.BrH.Sn/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H;/q;;;;+1/p-1
Names and Synonyms
- Bromotributylstannane Synonym
- Stannane, bromotributyl- Synonym
- Tributyltin bromide Synonym
- Tin, bromotributyl- Synonym
- Bromotributylstannane Synonym
- Bromotributyltin Synonym
- Tributylstannyl bromide Synonym
- Tributylbromostannane Synonym
- NSC 202816 Synonym
- Tri-n-butyltin bromide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 1.34 g/cm³ | CAS Common Chemistry |
| 1.3365 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 163 °C | CAS Common Chemistry |
| Canonical SMILES | Br[Sn](CCCC)(CCCC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/3C4H9.BrH.Sn/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H;/q;;;;+1/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=FVRKTAOFDKFAMI-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 120 °C | CAS Common Chemistry |
| Name | Bromotributylstannane | CAS Common Chemistry |
| Molecular Mass | 369.9629999999999 g/mol | RDKit |
| 370.031807664 g/mol | RDKit | |
| 369.963 g/mol | RDKit | |
| 372.986 g/mol | chempirical lib | |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.4849699999999992 | RDKit |
| 1.485 | RDKit | |
| Molar Refractivity | 66.54900000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 369.96 g/mol | CAS Common Chemistry |
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
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 = 369.96 g/mol; density = 1.340 g/mL. Edit any field — others recompute live.
