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Molecule
Bromine
CAS: 7726-95-6 · Br2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7726-95-6
- Molecular Formula
- Br2
- Molecular Mass
- 159.81 g/mol
Identifiers
CAS Registry Number
7726-95-6
SMILES
BrBr
InChI Key
GDTBXPJZTBHREO-UHFFFAOYSA-N
InChI
InChI=1S/Br2/c1-2
Names and Synonyms
- Bromine Synonym
- Bromine Synonym
- Dibromine Synonym
- Diatomic bromine Synonym
- Bromine element Synonym
- Bromine molecule (Br2) Synonym
- Bromitize Plus Synonym
- ABWS 20 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 159.81 g/mol | CAS Common Chemistry |
| 159.808 g/mol | RDKit | |
| Density | 3.11 g/cm³ | CAS Common Chemistry |
| 3.11 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Boiling Point | 58.78 °C | CAS Common Chemistry |
| Canonical SMILES | BrBr | CAS Common Chemistry |
| InChI | InChI=1S/Br2/c1-2 | CAS Common Chemistry |
| InChI Key | InChIKey=GDTBXPJZTBHREO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -7.25 °C | CAS Common Chemistry |
| Name | Bromine | CAS Common Chemistry |
| Heavy Atom Count | 2 | 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 | 1.6912 | RDKit |
| 1.76 | chempirical lib | |
| Molar Refractivity | 17.854 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 157.8366742 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 159.81 g/mol; density = 3.110 g/mL. Edit any field — others recompute live.
