dibromonickel trihydrate

• ChemBase ID: 152245
• Molecular Formular: Br2H6NiO3
• Molecular Mass: 272.54724
• Monoisotopic Mass: 269.80371095
• SMILES: O.O.O.[Ni](Br)Br
• Canonical SMILES: Br[Ni]Br.O.O.O
• InChI: InChI=1S/2BrH.Ni.3H2O/h2*1H;;3*1H2/q;;+2;;;/p-2
• InChIKey: UQPSGBZICXWIAG-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dibromonickel trihydrate
• IUPAC Traditional name: dibromonickel trihydrate
• Synonyms: Nickel dibromide hydrate; Nickelous bromide; Nickel(II) bromide trihydrate; 溴化镍(II) 三水合物

Database IDs

• CAS Number: 7789-49-3
• EC Number: 236-665-0
• MDL Number: MFCD00149807
• PubChem SID: 162246390; 24886373
• PubChem CID: 53471882

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: 10.46136 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 45-22-43-50/53
• Safety Statements: 53-36/37-45-60-61
• GHS Pictograms: GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H317-H350-H400
• GHS Precautionary statements: P201-P273-P280-P308 + P313
• RID/ADR: UN 3077 9/PG 3

Product Information

• Purity: ≥98.0% (AT)
• Linear Formula: NiBr2 · 3H2O

DETAILS

Sigma Aldrich - 72243

Packaging
250 g in glass bottle