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About This Item
Empirical Formula (Hill Notation):
Br2
CAS Number:
Molecular Weight:
159.81
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352101
EC Number:
231-778-1
MDL number:
Assay:
≥99.5% (by Na2S2O3, titration), ≥99.99% trace metals basis
vapor density
7.14 (vs air)
Quality Level
vapor pressure
175 mmHg ( 20 °C), 671 mmHg ( 55 °C)
assay
≥99.5% (by Na2S2O3, titration), ≥99.99% trace metals basis
resistivity
7.8E18 μΩ-cm, 20°C
impurities
≤0.001% I2, ≤0.001% S compounds, <100 ppm total metallic impurities
evapn. residue
≤0.005%
bp
58.8 °C (lit.)
mp
−7.2 °C (lit.)
density
3.119 g/mL at 25 °C (lit.)
anion traces
chloride (Cl-): ≤0.05%
cation traces
Ni: ≤5 ppm, heavy metals: ≤2 ppm
SMILES string
BrBr
InChI
1S/Br2/c1-2
InChI key
GDTBXPJZTBHREO-UHFFFAOYSA-N
Application
Bromine can be used as a brominating and oxidizing agent in chemical synthesis.
It can be used:
It can be used:
- To brominate alkylbenzenes at the benzylic position using photocatalytic conditions.
- To prepare brominated aromatic compounds by electrophilic aromatic substitution reactions in the presence of Lewis acid catalysts.
- For the bromination of carbonyl compounds at a carbonyl group via Hell-Volhard-Zelinski reaction in the presence of phosphorus trihalides.
- To prepare isocyanates, carbamates, or amines by reacting with primary amides in the presence of base via Hofmann rearrangement.
Other Notes
Contains organic bromine compounds
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signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 1 Inhalation - Aquatic Acute 1 - Eye Dam. 1 - Skin Corr. 1A
Storage Class
6.1B - Non-combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
wgk
WGK 2
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Faceshields, Gloves, Goggles
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Bromine
Goehring RR
Encyclopedia of Reagents for Organic Synthesis, Second Edition (2001)
Use of bromine and bromo-organic compounds in organic synthesis
Saikia I, et al.
Chemical Reviews, 116, 6837-7042 (2016)
John D Sivey et al.
Environmental science & technology, 47(3), 1330-1338 (2013-01-18)
HOBr, formed via oxidation of bromide by free available chlorine (FAC), is frequently assumed to be the sole species responsible for generating brominated disinfection byproducts (DBPs). Our studies reveal that BrCl, Br(2), BrOCl, and Br(2)O can also serve as brominating


