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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 Weight:
346.9989999999999 g/mol
Names and Synonyms:
Dibutyltin Maleate
Common Name
Di-n-butyltin maleate
Synonym
Neostann U 870
Synonym
KS 100A
Synonym
Plastistab 2808
Synonym
N 2000E
Synonym
Mark 2289
Synonym
Stann RC 90C
Synonym
Tinstab BM 360
Synonym
Stann MMS 22A
Synonym
ADK Stab BT 31
Synonym
ADK Stab BT 53
Synonym
T 501 (tin compound)
Synonym
T 501
Synonym
BM(N)
Synonym
TVS-NK 220B
Synonym
Stann RC 5R
Synonym
Stanclere TM
Synonym
TVS 86SP5
Synonym
KS 4C
Synonym
TN 1000
Synonym
Mark BT 58
Synonym
KK 3206
Synonym
Stann BM(N)
Synonym
Stann BM
Synonym
OTS 227
Synonym
Stann RC 71A
Synonym
Mark 275
Synonym
MA 300A
Synonym
TN 3J
Synonym
TVS-N 2000E
Synonym
Stavinor Sn 1300
Synonym
Stanclere T 157
Synonym
Stann RC 40F
Synonym
Irgastab T 150
Synonym
Irgastab T 4
Synonym
Mark BT 31
Synonym
TVS-MA 300
Synonym
KS 4B
Synonym
Markure UL 2
Synonym
Advastab T 340
Synonym
Dibutylstannylene maleate
Synonym
Stavinor 1300SN
Synonym
Irgastab T 290
Synonym
Nuodex V 1525
Synonym
Advastab T 290
Synonym
Advastab DBTM
Synonym
Dibutyl(maleoyldioxy)tin
Synonym
2,2-Dibutyl-1,3,2-dioxastannepin-4,7-dione
Synonym
Dibutyltin maleate
Synonym
1,3,2-Dioxastannepin-4,7-dione, 2,2-dibutyl-
Synonym
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
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 347.00 g/mol | Legacy Database |
| cas-canonical-smile | O=C1O[Sn](OC(=O)C=C1)(CCCC)CCCC None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=ZBBLRPRYYSJUCZ-UHFFFAOYSA-L None | Legacy Database |
| cas-melting-point | 125-135 °C None | Legacy Database |
| cas-name | Dibutyltin maleate None | Legacy Database |
| LogP | -0.09722000000000008 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 346.9989999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 348.03835382 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 17 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 80.25999999999999 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 65.43800000000003 | RDKit |