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Dibutyltin Maleate
CAS: 78-04-6 | C12H20O4Sn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
78-04-6
Molecular Formula:
C12H20O4Sn
Molecular Mass:
347.00 g/mol
Names and Synonyms:
Dibutyltin Maleate
1,3,2-Dioxastannepin-4,7-dione, 2,2-dibutyl-
Dibutyltin maleate
2,2-Dibutyl-1,3,2-dioxastannepin-4,7-dione
Dibutyl(maleoyldioxy)tin
Advastab DBTM
Advastab T 290
Nuodex V 1525
Irgastab T 290
Stavinor 1300SN
Dibutylstannylene maleate
Advastab T 340
Markure UL 2
KS 4B
TVS-MA 300
Mark BT 31
Irgastab T 4
Irgastab T 150
Stann RC 40F
Stanclere T 157
Stavinor Sn 1300
TVS-N 2000E
TN 3J
MA 300A
Mark 275
Stann RC 71A
OTS 227
Stann BM
Stann BM(N)
KK 3206
Mark BT 58
TN 1000
KS 4C
TVS 86SP5
Stanclere TM
Stann RC 5R
TVS-NK 220B
BM(N)
T 501
T 501 (tin compound)
ADK Stab BT 53
ADK Stab BT 31
Stann MMS 22A
Tinstab BM 360
Stann RC 90C
Mark 2289
N 2000E
Plastistab 2808
KS 100A
Neostann U 870
Di-n-butyltin maleate
Identifiers:
SMILES:
O=C([O-])C=CC(=O)[O-].[CH2]CCC.[CH2]CCC.[Sn+2]
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
Key Properties
Melting Point
125-135 °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 | 347.00 g/mol | CAS Common Chemistry |
| 346.9989999999999 g/mol | RDKit | |
| 348.03835382 g/mol | RDKit | |
| 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 |
| LogP | -0.09722000000000008 | RDKit |
| Molar Refractivity | 65.43800000000003 | RDKit |
