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Bromotributylstannane
CAS: 1461-23-0 | C12H27BrSn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1461-23-0
Molecular Formula:
C12H27BrSn
Molecular Mass:
369.96 g/mol
Names and Synonyms:
Bromotributylstannane
Stannane, bromotributyl-
Tributyltin bromide
Tin, bromotributyl-
Bromotributylstannane
Bromotributyltin
Tributylstannyl bromide
Tributylbromostannane
NSC 202816
Tri-n-butyltin bromide
Identifiers:
SMILES:
[Br-].[CH2]CCC.[CH2]CCC.[CH2]CCC.[Sn+]
InChI:
InChI=1S/3C4H9.BrH.Sn/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H;/q;;;;+1/p-1
Key Properties
Boiling Point
163 °C
CAS Common Chemistry
Melting Point
120 °C
CAS Common Chemistry
Density
1.34 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 | 369.96 g/mol | CAS Common Chemistry |
| 369.9629999999999 g/mol | RDKit | |
| 370.031807664 g/mol | RDKit | |
| Density | 1.34 g/cm³ | CAS Common Chemistry |
| 1.3365 g/cm3 @ Temp: 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 |
| 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 |
| Molar Refractivity | 66.54900000000005 | RDKit |
