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Triethyl Borate
CAS: 150-46-9 | C6H15BO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
150-46-9
Molecular Formula:
C6H15BO3
Molecular Weight:
145.99499999999998 g/mol
Names and Synonyms:
Triethyl Borate
NSC 2055
Boron ethoxide (B(OEt)3)
Boron triethoxide
Triethoxyboron
Triethoxyborane
Boron ethoxide
Triethyl borate
Ethyl borate ((EtO)3B)
Boric acid (H3BO3), triethyl ester
Identifiers:
SMILES:
CCOB(OCC)OCC
InChI:
InChI=1S/C6H15BO3/c1-4-8-7(9-5-2)10-6-3/h4-6H2,1-3H3
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 | 146.00 g/mol | Legacy Database |
| density | 0.86 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Triethyl_borate None | Legacy Database |
| cas-boiling-point | 120 °C None | Legacy Database |
| cas-canonical-smile | O(B(OCC)OCC)CC None | Legacy Database |
| cas-density | 0.858 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C6H15BO3/c1-4-8-7(9-5-2)10-6-3/h4-6H2,1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=AJSTXXYNEIHPMD-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -84.8 °C None | Legacy Database |
| cas-name | Triethyl borate None | Legacy Database |
| wikipedia-name | Triethyl borate None | Legacy Database |
| LogP | 1.0808 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 145.99499999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 146.11142474 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 6 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 27.69 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 40.63200000000001 | RDKit |
