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Triethoxyarsine
CAS: 3141-12-6 | C6H15AsO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3141-12-6
Molecular Formula:
C6H15AsO3
Molecular Mass:
210.11 g/mol
Names and Synonyms:
Triethoxyarsine
Arsenous acid, triethyl ester
Arsenious acid (H3AsO3), triethyl ester
Ethyl arsenite
Triethoxyarsine
Triethyl arsenite
Triethoxyarsenic
Arsenic ethoxide
Identifiers:
SMILES:
CCO[As](OCC)OCC
InChI:
InChI=1S/C6H15AsO3/c1-4-8-7(9-5-2)10-6-3/h4-6H2,1-3H3
Key Properties
Boiling Point
165.5 °C
CAS Common Chemistry
Density
1.21 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 | 210.11 g/mol | CAS Common Chemistry |
| 210.10499999999996 g/mol | RDKit | |
| 210.02371584 g/mol | RDKit | |
| Density | 1.21 g/cm³ | CAS Common Chemistry |
| 1.210 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 165.5 °C | CAS Common Chemistry |
| Canonical SMILES | O([As](OCC)OCC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C6H15AsO3/c1-4-8-7(9-5-2)10-6-3/h4-6H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BUZKVHDUZDJKHI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Triethoxyarsine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 1.0808 | RDKit |
| Molar Refractivity | 40.63200000000001 | RDKit |
