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Molecule
Boron
CAS: 7440-42-8 · B
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7440-42-8
- Molecular Formula
- B
- Molecular Mass
- 10.812 g/mol
Identifiers
CAS Registry Number
7440-42-8
SMILES
[B]
InChI Key
ZOXJGFHDIHLPTG-UHFFFAOYSA-N
InChI
InChI=1S/B
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 2.35 g/cm³ | CAS Common Chemistry |
| 2.35 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 2550 °C | CAS Common Chemistry |
| Canonical SMILES | [B] | CAS Common Chemistry |
| InChI | InChI=1S/B | CAS Common Chemistry |
| InChI Key | InChIKey=ZOXJGFHDIHLPTG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 2300 °C | CAS Common Chemistry |
| Name | Boron | CAS Common Chemistry |
| Molecular Mass | 10.812 g/mol | RDKit |
| 11.0093054 g/mol | RDKit | |
| Heavy Atom Count | 1 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -0.3808 | RDKit |
| Molar Refractivity | 5.754 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 10.81 g/mol | CAS Common Chemistry |
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
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MW = 10.81 g/mol; density = 2.350 g/mL. Edit any field — others recompute live.
