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Boron
CAS: 7440-42-8 | B
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7440-42-8
Molecular Formula:
B
Molecular Weight:
10.812 g/mol
Names and Synonyms:
Boron
Synonym
Boron
Synonym
Boron element
Synonym
Boron atom
Synonym
Trona
Synonym
Trona (element)
Synonym
SB 95
Synonym
SB 95 (boron)
Synonym
V 99
Synonym
Borfast
Synonym
Borotrac
Synonym
Power 7B
Synonym
Bortrac
Synonym
B-99A
Synonym
V 99 (element)
Synonym
Boron 112070
Synonym
Identifiers:
SMILES:
[B]
InChI:
InChI=1S/B
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 | 10.812 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 11.0093054 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 1 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.3808 | RDKit |
| molecular_mass | 10.81 g/mol | Legacy Database |
| density | 2.35 g/cm³ | Legacy Database |
| cas-boiling-point | 2550 °C None | Legacy Database |
| cas-canonical-smile | [B] None | Legacy Database |
| cas-density | 2.35 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/B None | Legacy Database |
| cas-inchi-key | InChIKey=ZOXJGFHDIHLPTG-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 2300 °C None | Legacy Database |
| cas-name | Boron None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 5.754 | RDKit |