sodium hydrate oxoborinate

• ChemBase ID: 104623
• Molecular Formular: BH3NaO3
• Molecular Mass: 84.82279
• Monoisotopic Mass: 85.00729364
• SMILES: O.[Na+].[O-][BH]=O
• Canonical SMILES: [O-][BH]=O.O.[Na+]
• InChI: InChI=1S/BO2.Na.H2O/c2-1-3;;/h;;1H2/q-1;+1
• InChIKey: UYAQHLFAIDLZLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium hydrate oxoborinate
• IUPAC Traditional name: potassium hydrate boron oxide hydroxide; sodium hydrate boron oxide hydroxide
• Synonyms: Boric acid, sodium salt, hydrate; SODIUM METABORATE HYDRATE; Sodium metaborate hydrate; 偏硼酸钠 水合物

Database IDs

• CAS Number: 7775-19-1; 15293-77-3
• EC Number: 231-891-6
• MDL Number: MFCD00149204
• PubChem SID: 24853703; 162091775
• PubChem CID: 23670744

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.0514
• LogD (pH = 7.4): -2.0514
• 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

• Melting Point: < 80°C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: ED4640000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 99%
• Linear Formula: NaBO2 · xH2O

DETAILS

MP Biomedicals - 02156631

Hydrate
Purity: 99%
Crystalline
Typically 4H₂ O/mole NaBO₂
pH 11.0 (1% solution at 20°C).

Sigma Aldrich - 228702

Packaging
500 g in poly bottle