trizinc(2+) ion diborate

• ChemBase ID: 111583
• Molecular Formular: B2O6Zn3
• Molecular Mass: 313.7584
• Monoisotopic Mass: 309.77552452
• SMILES: [Zn+2].[Zn+2].[Zn+2].[O-]B([O-])[O-].[O-]B([O-])[O-]
• Canonical SMILES: [O-]B([O-])[O-].[O-]B([O-])[O-].[Zn+2].[Zn+2].[Zn+2]
• InChI: InChI=1S/2BO3.3Zn/c2*2-1(3)4;;;/q2*-3;3*+2
• InChIKey: BIKXLKXABVUSMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trizinc(2+) ion diborate
• IUPAC Traditional name: trizinc, ion (zn2+) diborate; trizinc(2+) ion diborate
• Synonyms: ZINC BORATE; Zinc borate; 硼酸锌

Database IDs

• CAS Number: 12536-65-1; 10361-94-1
• EC Number: 233-803-1
• MDL Number: MFCD00069397
• PubChem SID: 162090797
• PubChem CID: 167155

CALCULATED PROPERTIES

• Acid pKa: 8.698678
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.5088733
• LogD (pH = 7.4): -0.52978307
• Log P: -0.5086
• Molar Refractivity: 4.3287 cm^3
• Polarizability: 3.917734 Å^3
• Polar Surface Area: 69.18 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Nature polluting (N)
• German water hazard class: 3
• Risk Statements: 50/53
• Safety Statements: 61
• GHS Pictograms: GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H410
• GHS Precautionary statements: P273-P501
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥36% B2O3 basis; ≥45% ZnO basis
• Grade: technical
• Loss on Drying: ≤19% loss on ignition, 800 °C, 1h

DETAILS

Sigma Aldrich - 14470

Packaging
1 kg in poly bottle