sodium tetrahydrate oxoborinate

• ChemBase ID: 130640
• Molecular Formular: BH9NaO6
• Molecular Mass: 138.86863
• Monoisotopic Mass: 139.03898769
• SMILES: [BH](=O)[O-].O.O.O.O.[Na+]
• Canonical SMILES: [O-][BH]=O.O.O.O.O.[Na+]
• InChI: InChI=1S/BO2.Na.4H2O/c2-1-3;;;;;/h;;4*1H2/q-1;+1
• InChIKey: JAKYJVJWXKRTSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium tetrahydrate oxoborinate
• IUPAC Traditional name: sodium tetrahydrate boron oxide hydroxide; sodium tetrahydrate oxoborinate
• Synonyms: Boric acid, sodium salt, tetrahydrate; Sodium metaborate tetrahydrate; 偏硼酸钠 四水合物; 四水偏硼酸钠

Database IDs

• CAS Number: 10555-76-7
• EC Number: 231-891-6
• MDL Number: MFCD00149205
• PubChem SID: 24899432; 162224918
• PubChem CID: 23694267

CALCULATED PROPERTIES

• 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
• Acid pKa: 6.840891

PROPERTIES

Physical Property

• Melting Point: ca 53°C dec.

Safety Information

• RTECS: ED4640000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99%; 98%
• Grade: CP
• Linear Formula: NaBO2 · 4H2O

DETAILS

Sigma Aldrich - S0251

Caution
在空气中易与 CO2 反应。
包装
1 kg in poly bottle
500 g in poly bottle