dibromocopper

• ChemBase ID: 140115
• Molecular Formular: Br2Cu
• Molecular Mass: 223.354
• Monoisotopic Mass: 220.7662715
• SMILES: [Cu](Br)Br
• Canonical SMILES: Br[Cu]Br
• InChI: InChI=1S/2BrH.Cu/h2*1H;/q;;+2/p-2
• InChIKey: QTMDXZNDVAMKGV-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dibromocopper
• IUPAC Traditional name: dibromocopper
• Synonyms: brominating agent; Cupric bromide; Copper(II) bromide; 溴化铜; 溴化铜(II)

Database IDs

• CAS Number: 7789-45-9
• EC Number: 232-167-2
• MDL Number: MFCD00010970
• PubChem SID: 24867403; 24845224; 24882065; 162234359; 24853260
• PubChem CID: 24611

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.1202
• LogD (pH = 7.4): 1.1202
• Log P: 1.1202
• Molar Refractivity: 17.4704 cm^3
• Polarizability: 10.54974 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: solid
• Melting Point: 498 °C(lit.)
• Density: 4.77 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3260
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 22-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3260 8/PG 3

Product Information

• Purity: ≥99%; ≥99.0% (RT); 99%; 99.999% trace metals basis
• Grade: purum
• Impurities: ≤0.3% subst. not precipitated by H2S (as SO4)
• Cation Traces: As: ≤50 mg/kg; Fe: ≤500 mg/kg
• Antion Traces: sulfate (SO42-): ≤5000 mg/kg
• Linear Formula: CuBr2

DETAILS

Sigma Aldrich - 437867

Packaging
5, 25 g in glass bottle

Sigma Aldrich - 221775

Application
Reagent used for the halogenation of indoles at C-2 and C-3.1
Packaging
5, 100, 500 g in glass bottle