dipotassium tetrahydrate 4-[(oxoboranyl)oxy]-1,3,2,4-dioxadiboretan-2-yl borate

• ChemBase ID: 104541
• Molecular Formular: B4H9K2O11
• Molecular Mass: 306.50546
• Monoisotopic Mass: 306.97912107
• SMILES: O.O.O.O.[K+].[K+].[O-]B([O-])OB1OB(O[BH]=O)O1
• Canonical SMILES: O=[BH]OB1OB(O1)OB([O-])[O-].O.O.O.O.[K+].[K+]
• InChI: InChI=1S/B4O7.2K.4H2O/c5-1-8-3-10-4(11-3)9-2(6)7;;;;;;/h;;;4*1H2/q-2;2*+1
• InChIKey: FZICZLCGJZRAHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dipotassium tetrahydrate 4-[(oxoboranyl)oxy]-1,3,2,4-dioxadiboretan-2-yl borate
• IUPAC Traditional name: dipotassium tetrahydrate 4-[(oxoboranyl)oxy]-1,3,2,4-dioxadiboretan-2-yl borate; dipotassium ion tetrahydrate 4-[(oxoboranyl)oxy]-1,3,2,4-dioxadiboretan-2-yl borate
• Synonyms: Potassium tetraborate tetrahydrate; Potassium biborate; POTASSIUM TETRABORATE TETRAHYDRATE; 硼酸钾; 四硼酸钾 四水合物

Database IDs

• CAS Number: 12045-78-2
• EC Number: 215-575-5
• MDL Number: MFCD00149924
• PubChem SID: 24898701; 162091882
• PubChem CID: 44134905

CALCULATED PROPERTIES

• Acid pKa: 8.6113825
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.060666
• LogD (pH = 7.4): 4.035236
• Log P: 4.061
• Molar Refractivity: 9.7295 cm^3
• Polarizability: 11.519075 Å^3
• Polar Surface Area: 100.11 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: Decomposes
• Boiling Point: Decomposes

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• European Hazard Symbols: Toxic (T); Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 60-61; R:36/37/38
• Safety Statements: 53-45; S:20-25-26-37/39
• GHS Pictograms: GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H360FD
• GHS Precautionary statements: P201-P308 + P313
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99.5%; 99%
• Grade: ReagentPlus®

DETAILS

MP Biomedicals - 02156343

Tetrahydrate
Purity: 99%
Crystalline
pH of 1% solution at 25°C = approx. 9.1.

Sigma Aldrich - P5754

包装
2.5 kg in poly drum
500 g in poly bottle
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC