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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
Di-n-butyltin maleate
Neostann U 870
KS 100A
Plastistab 2808
N 2000E
Mark 2289
Stann RC 90C
Tinstab BM 360
Stann MMS 22A
ADK Stab BT 31
ADK Stab BT 53
T 501 (tin compound)
T 501
BM(N)
TVS-NK 220B
Stann RC 5R
Stanclere TM
TVS 86SP5
KS 4C
TN 1000
Mark BT 58
KK 3206
Stann BM(N)
Stann BM
OTS 227
Stann RC 71A
Mark 275
MA 300A
TN 3J
TVS-N 2000E
Stavinor Sn 1300
Stanclere T 157
Stann RC 40F
Irgastab T 150
Irgastab T 4
Mark BT 31
TVS-MA 300
KS 4B
Markure UL 2
Advastab T 340
Dibutylstannylene maleate
Stavinor 1300SN
Irgastab T 290
Nuodex V 1525
Advastab T 290
Advastab DBTM
Dibutyl(maleoyldioxy)tin
2,2-Dibutyl-1,3,2-dioxastannepin-4,7-dione
Dibutyltin maleate
1,3,2-Dioxastannepin-4,7-dione, 2,2-dibutyl-

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.

External Resources

All Properties

Comprehensive physical and chemical properties

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

Physical Properties

Property Value Source
LogP -0.09722000000000008 RDKit
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

Molar

Property Value Source
Molar Refractivity 65.43800000000003 RDKit

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