nickel(2+) ion dioxoborinate

• ChemBase ID: 110754
• Molecular Formular: B2H2NiO4
• Molecular Mass: 146.32888
• Monoisotopic Mass: 145.94926224
• SMILES: [Ni+2].[O-][BH]=O.[O-][BH]=O
• Canonical SMILES: [O-][BH]=O.[O-][BH]=O.[Ni+2]
• InChI: InChI=1S/2BO2.Ni/c2*2-1-3;/q2*-1;+2
• InChIKey: VWFBOIDHUCOUFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nickel(2+) ion dioxoborinate
• IUPAC Traditional name: nickel(2+) diboron oxide hydroxide; nickel(2+) ion dioxoborinate
• Synonyms: NICKEL BORATE; Nickel borate hydrate; 硼酸镍水合物

Database IDs

• CAS Number: 51142-85-9
• MDL Number: MFCD00050099
• PubChem SID: 162096937
• PubChem CID: 25021987

CALCULATED PROPERTIES

• Acid pKa: 6.840891
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.19313604
• LogD (pH = 7.4): -0.44406706
• Log P: 0.2124
• Molar Refractivity: 2.8858 cm^3
• Polarizability: 2.9952743 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder

Safety Information

• European Hazard Symbols: X
• Risk Statements: 40-43
• Safety Statements: 22-36
• TSCA Listed: 否
• GHS Pictograms: GHS07; GHS08
• GHS Hazard statements: H351-H317
• GHS Precautionary statements: P261-P280-P302+P352-P321-P405-P501A

DETAILS

MP Biomedicals - 05216202

MP Biomedicals Rare Chemical collection