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Tributyltin Fluoride
CAS: 1983-10-4 | C12H27FSn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1983-10-4
Molecular Formula:
C12H27FSn
Molecular Mass:
309.06 g/mol
Names and Synonyms:
Tributyltin Fluoride
CBL 9B
Stannane, tributylfluoro-
Tributyltin fluoride
Tin, tributylfluoro-
Tributylfluorostannane
Fluorotributyltin
Tri-n-butylstannyl fluoride
BioMeT TBTF
Tri-n-butyltin fluoride
Aceto TBTF
TBTF
Fluoro(tributyl)stannane
NSC 179737
NSC 195319
Identifiers:
SMILES:
[CH2]CCC.[CH2]CCC.[CH2]CCC.[F-].[Sn+]
InChI:
InChI=1S/3C4H9.FH.Sn/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H;/q;;;;+1/p-1
Key Properties
Melting Point
260 °C
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 | 309.06 g/mol | CAS Common Chemistry |
| 309.05699999999996 g/mol | RDKit | |
| 310.111873784 g/mol | RDKit | |
| Canonical SMILES | F[Sn](CCCC)(CCCC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/3C4H9.FH.Sn/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H;/q;;;;+1/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=DFNPRTKVCGZMMC-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 260 °C | CAS Common Chemistry |
| Name | Tributyltin fluoride | 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 | 1.4849699999999997 | RDKit |
| Molar Refractivity | 66.54900000000005 | RDKit |
