dibromonickel hydrate

• ChemBase ID: 147499
• Molecular Formular: Br2H2NiO
• Molecular Mass: 236.51668
• Monoisotopic Mass: 233.78258158
• SMILES: O.[Ni](Br)Br
• Canonical SMILES: Br[Ni]Br.O
• InChI: InChI=1S/2BrH.Ni.H2O/h2*1H;;1H2/q;;+2;/p-2
• InChIKey: LQJMXNQEJAVYNB-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 207569-11-7
• MDL Number: MFCD00149806
• PubChem SID: 162241687; 24854008
• PubChem CID: 57377118

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

Physical Property

• Apperance: solid

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
• 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 3077 9/PG 3

Product Information

• Purity: 98%
• Compostion: Degree of hydration, 1-2
• Linear Formula: NiBr2 · xH2O

DETAILS

Sigma Aldrich - 233730

Packaging
25 g in glass bottle