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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
Names and Synonyms:
Bromine
Bromine
Dibromine
Diatomic bromine
Bromine element
Bromine molecule (Br2)
Bromitize Plus
ABWS 20
Identifiers:
SMILES:
BrBr
InChI:
InChI=1S/Br2/c1-2
Key Properties
Boiling Point
58.78 °C
CAS Common Chemistry
Melting Point
-7.25 °C
CAS Common Chemistry
Density
3.11 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 159.81 g/mol | CAS Common Chemistry |
| 159.808 g/mol | RDKit | |
| 157.8366742 g/mol | RDKit | |
| Density | 3.11 g/cm³ | CAS Common Chemistry |
| 3.11 g/cm3 @ Temp: 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 |
| Molar Refractivity | 17.854 | RDKit |
