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Molecule
Dibutyltin Maleate
CAS: 78-04-6 · C12H20O4Sn
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 78-04-6
- Molecular Formula
- C12H20O4Sn
- Molecular Mass
- 347.00 g/mol
Identifiers
CAS Registry Number
78-04-6
SMILES
O=C([O-])C=CC(=O)[O-].[CH2]CCC.[CH2]CCC.[Sn+2]
InChI Key
ZBBLRPRYYSJUCZ-UHFFFAOYSA-L
InChI
InChI=1S/C4H4O4.2C4H9.Sn/c5-3(6)1-2-4(7)8;2*1-3-4-2;/h1-2H,(H,5,6)(H,7,8);2*1,3-4H2,2H3;/q;;;+2/p-2
Names and Synonyms
- Dibutyltin Maleate Common Name
- 1,3,2-Dioxastannepin-4,7-dione, 2,2-dibutyl- Synonym
- Dibutyltin maleate Synonym
- 2,2-Dibutyl-1,3,2-dioxastannepin-4,7-dione Synonym
- Dibutyl(maleoyldioxy)tin Synonym
- Advastab DBTM Synonym
- Advastab T 290 Synonym
- Nuodex V 1525 Synonym
- Irgastab T 290 Synonym
- Stavinor 1300SN Synonym
- Dibutylstannylene maleate Synonym
- Advastab T 340 Synonym
- Markure UL 2 Synonym
- KS 4B Synonym
- TVS-MA 300 Synonym
- Mark BT 31 Synonym
- Irgastab T 4 Synonym
- Irgastab T 150 Synonym
- Stann RC 40F Synonym
- Stanclere T 157 Synonym
- Stavinor Sn 1300 Synonym
- TVS-N 2000E Synonym
- TN 3J Synonym
- MA 300A Synonym
- Mark 275 Synonym
- Stann RC 71A Synonym
- OTS 227 Synonym
- Stann BM Synonym
- Stann BM(N) Synonym
- KK 3206 Synonym
- Mark BT 58 Synonym
- TN 1000 Synonym
- KS 4C Synonym
- TVS 86SP5 Synonym
- Stanclere TM Synonym
- Stann RC 5R Synonym
- TVS-NK 220B Synonym
- BM(N) Synonym
- T 501 Synonym
- T 501 (tin compound) Synonym
- ADK Stab BT 53 Synonym
- ADK Stab BT 31 Synonym
- Stann MMS 22A Synonym
- Tinstab BM 360 Synonym
- Stann RC 90C Synonym
- Mark 2289 Synonym
- N 2000E Synonym
- Plastistab 2808 Synonym
- KS 100A Synonym
- Neostann U 870 Synonym
- Di-n-butyltin maleate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 347.00 g/mol | CAS Common Chemistry |
| 348.03835382 g/mol | RDKit | |
| 346.999 g/mol | RDKit | |
| 351.03 g/mol | chempirical lib | |
| Canonical SMILES | O=C1O[Sn](OC(=O)C=C1)(CCCC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C4H4O4.2C4H9.Sn/c5-3(6)1-2-4(7)8;2*1-3-4-2;/h1-2H,(H,5,6)(H,7,8);2*1,3-4H2,2H3;/q;;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=ZBBLRPRYYSJUCZ-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | 125-135 °C | CAS Common Chemistry |
| Name | Dibutyltin maleate | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 80.25999999999999 Ų | RDKit |
| 80.26 Ų | RDKit | |
| LogP | -0.09722000000000008 | RDKit |
| -0.0972 | RDKit | |
| Molar Refractivity | 65.43800000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 346.9989999999999 g/mol | RDKit |
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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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 = 347.00 g/mol. Edit any field — others recompute live.
