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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 Mass:
146.00 g/mol
Names and Synonyms:
Triethyl Borate
Boric acid (H3BO3), triethyl ester
Ethyl borate ((EtO)3B)
Triethyl borate
Boron ethoxide
Triethoxyborane
Triethoxyboron
Boron triethoxide
Boron ethoxide (B(OEt)3)
NSC 2055
Identifiers:
SMILES:
CCOB(OCC)OCC
InChI:
InChI=1S/C6H15BO3/c1-4-8-7(9-5-2)10-6-3/h4-6H2,1-3H3
Key Properties
Boiling Point
120 °C
CAS Common Chemistry
Melting Point
-84.8 °C
CAS Common Chemistry
Density
0.86 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 | 146.00 g/mol | CAS Common Chemistry |
| 145.99499999999998 g/mol | RDKit | |
| 146.11142474 g/mol | RDKit | |
| Density | 0.86 g/cm³ | CAS Common Chemistry |
| 0.858 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Triethyl_borate | CAS Common Chemistry |
| Boiling Point | 120 °C | CAS Common Chemistry |
| Canonical SMILES | O(B(OCC)OCC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C6H15BO3/c1-4-8-7(9-5-2)10-6-3/h4-6H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=AJSTXXYNEIHPMD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -84.8 °C | CAS Common Chemistry |
| Name | Triethyl borate | 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 |
