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Molecule
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 Mass
- 103.91399999999999 g/mol
Identifiers
CAS Registry Number
121-43-7
SMILES
COB(OC)OC
InChI Key
WRECIMRULFAWHA-UHFFFAOYSA-N
InChI
InChI=1S/C3H9BO3/c1-5-4(6-2)7-3/h1-3H3
Names and Synonyms
- Trimethyl Borate Synonym
- Boric acid (H3BO3), trimethyl ester Synonym
- Methyl borate ((MeO)3B) Synonym
- Borester O Synonym
- Trimethoxyborane Synonym
- Trimethoxyborine Synonym
- Trimethyl borate Synonym
- Boric acid trimethyl ester Synonym
- Trimethoxyboron Synonym
- Boron trimethoxide Synonym
- TMB Synonym
- NSC 777 Synonym
- Trimethylborate Synonym
- TMB-R Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 0.92 g/cm³ | CAS Common Chemistry |
| 0.915 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Trimethyl_borate | CAS Common Chemistry |
| Boiling Point | 67-68 °C | CAS Common Chemistry |
| Canonical SMILES | O(B(OC)OC)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H9BO3/c1-5-4(6-2)7-3/h1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WRECIMRULFAWHA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -29.3 °C | CAS Common Chemistry |
| Name | Trimethyl borate | CAS Common Chemistry |
| Molecular Mass | 103.91399999999999 g/mol | RDKit |
| 104.06447454799999 g/mol | RDKit | |
| 103.914 g/mol | RDKit | |
| 103.912 g/mol | chempirical lib | |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | -0.08950000000000014 | RDKit |
| -0.0895 | RDKit | |
| Molar Refractivity | 26.780999999999988 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 103.91 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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Quick conversion
MW = 103.91 g/mol; density = 0.920 g/mL. Edit any field — others recompute live.
