copper(2+) ion dibromide

• ChemBase ID: 126699
• Molecular Formular: Br2Cu
• Molecular Mass: 223.354
• Monoisotopic Mass: 220.7662715
• SMILES: [Cu+2].[Br-].[Br-]
• Canonical SMILES: [Cu+2].[Br-].[Br-]
• InChI: InChI=1S/2BrH.Cu/h2*1H;/q;;+2/p-2
• InChIKey: QTMDXZNDVAMKGV-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: copper(2+) ion dibromide
• IUPAC Traditional name: copper(2+) ion dibromide
• Synonyms: Cupric bromide; Copper(II) bromide; Copper(II) bromide, Reagent Grade; Copper(II) bromide; 二溴化铜(II),试剂级; 二溴化铜(II)

Database IDs

• CAS Number: 7789-45-9
• EC Number: 232-167-2
• MDL Number: MFCD00010970
• Merck Index: 142629
• PubChem SID: 162221027
• PubChem CID: 24611; 10220139
• Chemspider ID: 8395631
• Wikipedia Title: Copper(II)_bromide

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.156
• LogD (pH = 7.4): 0.156
• Log P: 0.156
• Molar Refractivity: 0.0 cm^3
• Polarizability: 3.5074239 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 3.09

PROPERTIES

Physical Property

• Solubility: 55.7 g/100 mL (20 °C) in water; soluble in alcohol, acetone, ammonia ; insoluble in benzene, ether, ethyl ether, sulfuric acid
• Apperance: Crystalline; grayish black crystals ; deliquescent
• Melting Point: 498°C; 498°C
• Boiling Point: 900°C; 900°C
• Density: 4.710; 4.710 g/cm^3, solid

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Corrosive (C); Nature polluting (N); X
• UN Number: UN3260
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 22-34-50/53
• Safety Statements: 26-36/37/39-45-60-61
• TSCA Listed: 是
• EU Index: Not listed
• GHS Pictograms: GHS05; GHS06; GHS09
• NFPA704:
  

  0

  2

  0
• GHS Hazard statements: H301-H314-H318-H400-H410
• GHS Precautionary statements: P260-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 99%; Cu 28.1% min

REFERENCES

• Brominating agent.
• For use in alkyl nitrite-promoted non-aqueous conversion of arylamines to aryl bromides, see: J. Org. Chem., 42, 2426 (1977); 45, 2570 (1980).