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Molecule
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
Identifiers
CAS Registry Number
1983-10-4
SMILES
[CH2]CCC.[CH2]CCC.[CH2]CCC.[F-].[Sn+]
InChI Key
DFNPRTKVCGZMMC-UHFFFAOYSA-M
InChI
InChI=1S/3C4H9.FH.Sn/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H;/q;;;;+1/p-1
Names and Synonyms
- Tributyltin Fluoride Common Name
- CBL 9B Synonym
- Stannane, tributylfluoro- Synonym
- Tributyltin fluoride Synonym
- Tin, tributylfluoro- Synonym
- Tributylfluorostannane Synonym
- Fluorotributyltin Synonym
- Tri-n-butylstannyl fluoride Synonym
- BioMeT TBTF Synonym
- Tri-n-butyltin fluoride Synonym
- Aceto TBTF Synonym
- TBTF Synonym
- Fluoro(tributyl)stannane Synonym
- NSC 179737 Synonym
- NSC 195319 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 309.06 g/mol | CAS Common Chemistry |
| 310.111873784 g/mol | RDKit | |
| 309.057 g/mol | RDKit | |
| 312.08 g/mol | chempirical lib | |
| 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 |
| 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 | 309.05699999999996 g/mol | RDKit |
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 = 309.06 g/mol. Edit any field — others recompute live.
