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Trimethyl Borate
CAS: 121-43-7 | C3H9BO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
121-43-7
Molecular Formula:
C3H9BO3
Molecular Weight:
103.91399999999999 g/mol
Names and Synonyms:
Trimethyl Borate
Boric acid (H3BO3), trimethyl ester
Methyl borate ((MeO)3B)
Borester O
Trimethoxyborane
Trimethoxyborine
Trimethyl borate
Boric acid trimethyl ester
Trimethoxyboron
Boron trimethoxide
TMB
NSC 777
Trimethylborate
TMB-R
Identifiers:
SMILES:
COB(OC)OC
InChI:
InChI=1S/C3H9BO3/c1-5-4(6-2)7-3/h1-3H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 103.91399999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 104.06447454799999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 27.69 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.08950000000000014 | RDKit |
| molecular_mass | 103.91 g/mol | Legacy Database |
| density | 0.92 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Trimethyl_borate None | Legacy Database |
| cas-boiling-point | 67-68 °C None | Legacy Database |
| cas-canonical-smile | O(B(OC)OC)C None | Legacy Database |
| cas-density | 0.915 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C3H9BO3/c1-5-4(6-2)7-3/h1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=WRECIMRULFAWHA-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -29.3 °C None | Legacy Database |
| cas-name | Trimethyl borate None | Legacy Database |
| wikipedia-name | Trimethyl borate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 26.780999999999988 | RDKit |
