lithium(1+) ion dihydrate oxoborinate

• ChemBase ID: 109791
• Molecular Formular: BH5LiO4
• Molecular Mass: 86.7893
• Monoisotopic Mass: 87.04409359
• SMILES: [Li+].O.O.[O-][BH]=O
• Canonical SMILES: [O-][BH]=O.[Li+].O.O
• InChI: InChI=1S/BO2.Li.2H2O/c2-1-3;;;/h;;2*1H2/q-1;+1
• InChIKey: MAXQFCAELLTPNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: lithium(1+) ion dihydrate oxoborinate
• IUPAC Traditional name: LithoTab dihydrate boron oxide hydroxide; lithium(1+) ion dihydrate boron oxide hydroxide
• Synonyms: LITHIUM METABORATE; Lithium metaborate dihydrate; 偏硼酸锂 二水合物

Database IDs

• CAS Number: 15293-74-0
• EC Number: 236-631-5
• MDL Number: MFCD00149768
• PubChem SID: 162088945; 24862504
• PubChem CID: 23668852

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

• Apperance: solid

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-41
• Safety Statements: 26-39
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H312-H318-H332
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Linear Formula: LiBO2 · 2H2O

DETAILS

MP Biomedicals - 05212598

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 365297

Packaging
500 g in poly bottle