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1-Butanol, Antimony(3+) Salt (3:1)
CAS: 2155-74-0 | C4H10OSb
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2155-74-0
Molecular Formula:
C4H10OSb
Molecular Mass:
195.88 g/mol
Names and Synonyms:
1-Butanol, Antimony(3+) Salt (3:1)
1-Butanol, antimony(3+) salt (3:1)
Antimonic acid (H3SbO3), tributyl ester
1-Butanol, antimony(3+) salt
Butyl antimonate(III)
Tributoxyantimony
Antimony tributoxide
Tributoxystibine
Tributylantimonite
Antimony butoxide
Alcofine SB 40
Antimony(III) butoxide
Butyl antimonite ((BuO)3Sb)
Identifiers:
SMILES:
CCCCO.[Sb]
InChI:
InChI=1S/C4H10O.Sb/c1-2-3-4-5;/h5H,2-4H2,1H3;
Key Properties
Boiling Point
138.5-139.5 °C @ Press: 5.5 Torr
CAS Common Chemistry
Density
1.28 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 | 195.88 g/mol | CAS Common Chemistry |
| 195.88299999999998 g/mol | RDKit | |
| 194.97698064 g/mol | RDKit | |
| Density | 1.28 g/cm³ | CAS Common Chemistry |
| 1.2804 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 138.5-139.5 °C @ Press: 5.5 Torr | CAS Common Chemistry |
| Canonical SMILES | [Sb].OCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C4H10O.Sb/c1-2-3-4-5;/h5H,2-4H2,1H3; | CAS Common Chemistry |
| InChI Key | InChIKey=KDZDLLGMUHLMRZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Butanol, antimony(3+) salt (3:1) | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 0.39799999999999996 | RDKit |
| Molar Refractivity | 27.747799999999987 | RDKit |
