Back to Search
Molecule
Sodium Metaborate Tetrahydrate
CAS: 10555-76-7 · H9BNaO6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 10555-76-7
- Molecular Formula
- H9BNaO6
- Molecular Mass
- 138.87 g/mol
Identifiers
CAS Registry Number
10555-76-7
SMILES
O.O.O.O.O=BO.[Na]
InChI Key
QVEPYGJNJKJAPK-UHFFFAOYSA-N
InChI
InChI=1S/BHO2.Na.4H2O/c2-1-3;;;;;/h2H;;4*1H2
Names and Synonyms
- Sodium Metaborate Tetrahydrate Common Name
- Boric acid (HBO2), sodium salt, tetrahydrate Synonym
- Sodium metaborate tetrahydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 138.87 g/mol | CAS Common Chemistry |
| 139.038987688 g/mol | RDKit | |
| 138.868 g/mol | RDKit | |
| 139.874 g/mol | chempirical lib | |
| Density | 1.74 g/cm³ | CAS Common Chemistry |
| 1.743 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Canonical SMILES | [Na].O=BO.O | CAS Common Chemistry |
| InChI | InChI=1S/BHO2.Na.4H2O/c2-1-3;;;;;/h2H;;4*1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=QVEPYGJNJKJAPK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 55 °C | CAS Common Chemistry |
| Name | Sodium metaborate tetrahydrate | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 163.29999999999998 Ų | RDKit |
| 163.3 Ų | RDKit | |
| LogP | -4.736199999999999 | RDKit |
| -4.7362 | RDKit | |
| Molar Refractivity | 28.868499999999994 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 138.868 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 138.87 g/mol; density = 1.740 g/mL. Edit any field — others recompute live.
