4-[(4-hydroxy-1,3,2,4-dioxadiboretan-2-yl)oxy]-1,3,2,4-dioxadiboretan-2-ol diamine tetrahydrate

• ChemBase ID: 104110
• Molecular Formular: B4H16N2O11
• Molecular Mass: 263.37784
• Monoisotopic Mass: 264.11263094
• SMILES: N.N.O.O.O.O.OB1OB(O1)OB1OB(O)O1
• Canonical SMILES: OB1OB(O1)OB1OB(O1)O.N.N.O.O.O.O
• InChI: InChI=1S/B4H2O7.2H3N.4H2O/c5-1-7-3(8-1)11-4-9-2(6)10-4;;;;;;/h5-6H;2*1H3;4*1H2
• InChIKey: QZNWNKFWDJRMLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(4-hydroxy-1,3,2,4-dioxadiboretan-2-yl)oxy]-1,3,2,4-dioxadiboretan-2-ol diamine tetrahydrate
• IUPAC Traditional name: 4-[(4-hydroxy-1,3,2,4-dioxadiboretan-2-yl)oxy]-1,3,2,4-dioxadiboretan-2-ol diamine tetrahydrate
• Synonyms: Ammonium tetraborate tetrahydrate; Ammonium biborate tetrahydrate; AMMONIUM BIBORATE; Ammonium tetraborate 四水合物; 硼酸铵 四水合物

Database IDs

• CAS Number: 12228-87-4
• EC Number: 234-513-8
• MDL Number: MFCD00149601
• PubChem SID: 24890853; 162090769
• PubChem CID: 44134537

CALCULATED PROPERTIES

• Acid pKa: 8.34835
• H Acceptors: 7
• H Donor: 2
• LogD (pH = 5.5): 4.6829877
• LogD (pH = 7.4): 4.6363044
• Log P: 4.6836
• Molar Refractivity: 11.8802 cm^3
• Polarizability: 12.187336 Å^3
• Polar Surface Area: 86.61 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• pH: ~8.8 ( in solution, over a wide range of concentrations)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• 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: 98.9-101.2% B2O3 basis; 99%
• Linear Formula: (NH4)2B4O7 · 4H2O

DETAILS

MP Biomedicals - 02154774

Tetrahydrate Purity: 99% Solutions have a pH of approximately 8.8 over a wide range of concentrations.

Sigma Aldrich - A4380

包装
500 g in poly bottle