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Molecule
Butyltin Chloride Dihydroxide
CAS: 13355-96-9 · C4H11ClO2Sn
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13355-96-9
- Molecular Formula
- C4H11ClO2Sn
- Molecular Mass
- 245.29399999999998 g/mol
Identifiers
CAS Registry Number
13355-96-9
SMILES
[CH2]CCC.[Cl-].[OH-].[OH-].[Sn+3]
InChI Key
FQYHHEJETOLDHR-UHFFFAOYSA-K
InChI
InChI=1S/C4H9.ClH.2H2O.Sn/c1-3-4-2;;;;/h1,3-4H2,2H3;1H;2*1H2;/q;;;;+3/p-3
Names and Synonyms
- Butyltin Chloride Dihydroxide Synonym
- Stannane, butylchlorodihydroxy- Synonym
- Butylchlorodihydroxystannane Synonym
- Butylchlorotin dihydroxide Synonym
- Fascat 4101 Synonym
- NSC 323990 Synonym
- Butyltin chloride dihydroxide Synonym
- Butylchlorostannanediol Synonym
- Butyltin dihydroxychloride Synonym
- PC 4101 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | Cl[Sn](O)(O)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C4H9.ClH.2H2O.Sn/c1-3-4-2;;;;/h1,3-4H2,2H3;1H;2*1H2;/q;;;;+3/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=FQYHHEJETOLDHR-UHFFFAOYSA-K | CAS Common Chemistry |
| Melting Point | 107-112 °C | CAS Common Chemistry |
| Name | Butyltin chloride dihydroxide | CAS Common Chemistry |
| Molecular Mass | 245.29399999999998 g/mol | RDKit |
| 245.946951972 g/mol | RDKit | |
| 245.294 g/mol | RDKit | |
| 250.33 g/mol | chempirical lib | |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 60.0 Ų | RDKit |
| LogP | -2.1098099999999977 | RDKit |
| -2.1098 | RDKit | |
| Molar Refractivity | 29.890599999999992 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 245.29 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
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140
120
100
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60
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 245.29 g/mol. Edit any field — others recompute live.
