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Tributyltin Oxide
CAS: 56-35-9 | C24H54OSn2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
56-35-9
Molecular Formula:
C24H54OSn2
Molecular Mass:
596.12 g/mol
Names and Synonyms:
Tributyltin Oxide
Distannoxane, 1,1,1,3,3,3-hexabutyl-
Bis(tributyltin) oxide
Distannoxane, hexabutyl-
1,1,1,3,3,3-Hexabutyldistannoxane
BioMeT TBTO
Butinox
Oxybis[tributyltin]
TBTO
6-Oxa-5,7-distannaundecane, 5,5,7,7-tetrabutyl-
Lastanox T
Lastanox Q
Stannicide A
Di-tributyl tin oxide
Tributyltin oxide
Mykolastanox F
Bis(tributylstannic oxide)
Lastanox F
Vikol AF 25
Vikol LO 25
BioMeT 66
Oxybis(tributylstannane)
BioMeT SRM
Lastanox T 20
Bis(tributylstannyl) oxide
Lastanox Q1
MT 1E
Stannicide O
Lastanox Super
Intercide 340A
Aceto TBTO
Diall
Hexabutyldistannoxane
Hexabutylditin oxide
Bis(tributylstannyl) ether
NSC 22332
NSC 28132
TnBTO
Tri-n-butyltin oxide
Identifiers:
SMILES:
[CH2]CCC.[CH2]CCC.[CH2]CCC.[CH2]CCC.[CH2]CCC.[CH2]CCC.[O].[Sn].[Sn]
InChI:
InChI=1S/6C4H9.O.2Sn/c6*1-3-4-2;;;/h6*1,3-4H2,2H3;;;
Key Properties
Boiling Point
180 °C @ Press: 2 Torr
CAS Common Chemistry
Melting Point
45 °C
CAS Common Chemistry
Density
1.17 g/cm³
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 | 596.12 g/mol | CAS Common Chemistry |
| 596.1170000000002 g/mol | RDKit | |
| 598.2218557479999 g/mol | RDKit | |
| Density | 1.17 g/cm³ | CAS Common Chemistry |
| 1.17 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tributyltin_oxide | CAS Common Chemistry |
| Boiling Point | 180 °C @ Press: 2 Torr | CAS Common Chemistry |
| Canonical SMILES | O([Sn](CCCC)(CCCC)CCCC)[Sn](CCCC)(CCCC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/6C4H9.O.2Sn/c6*1-3-4-2;;;/h6*1,3-4H2,2H3;;; | CAS Common Chemistry |
| InChI Key | InChIKey=APQHKWPGGHMYKJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 45 °C | CAS Common Chemistry |
| Name | Tributyltin oxide | CAS Common Chemistry |
| Heavy Atom Count | 27 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 28.5 Ų | RDKit |
| LogP | 8.843140000000005 | RDKit |
| Molar Refractivity | 133.78450000000004 | RDKit |
