disodium octahydrate dioxoborinate

• ChemBase ID: 303273
• Molecular Formular: B2H18Na2O12
• Molecular Mass: 277.73726
• Monoisotopic Mass: 278.07797538
• SMILES: [BH](=O)[O-].[BH](=O)[O-].O.O.O.O.O.O.O.O.[Na+].[Na+]
• Canonical SMILES: [O-][BH]=O.[O-][BH]=O.O.O.O.O.O.O.O.O.[Na+].[Na+]
• InChI: InChI=1S/2BO2.2Na.8H2O/c2*2-1-3;;;;;;;;;;/h;;;;8*1H2/q2*-1;2*+1
• InChIKey: RMRQRSMOQWLVOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium octahydrate dioxoborinate
• IUPAC Traditional name: disodium octahydrate dioxoborinate
• Synonyms: Sodium metaborate tetrahydrate, tech.; 四水偏硼酸钠, tech.

Database IDs

• CAS Number: 10555-76-7
• EC Number: 231-891-6
• MDL Number: MFCD00149205

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: -8 Mesh Crystalline
• Melting Point: ca 53°C dec.

Safety Information

• RTECS: ED4640000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A