lithium(1+) ion (2H4)boranuide

• ChemBase ID: 141139
• Molecular Formular: BLi
• Molecular Mass: 17.752
• Monoisotopic Mass: 18.02530995
• SMILES: [BH3-].[Li+]
• Canonical SMILES: [Li+].[BH3-]
• InChI: InChI=1S/BH4.Li/h1H4;/q-1;+1
• InChIKey: UUKMSDRCXNLYOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: lithium(1+) ion (^2H₄)boranuide
• IUPAC Traditional name: lithium(1+) ion (^2H₄)boranuide
• Synonyms: Lithium borohydride-d4; Lithium borodeuteride; 硼氢化锂-d4; 硼氘化锂

Database IDs

• CAS Number: 15246-28-3
• EC Number: 239-291-6
• MDL Number: MFCD00066544
• PubChem SID: 162235374
• PubChem CID: 23681587

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -1.804
• LogD (pH = 7.4): -1.804
• Log P: -1.804
• Molar Refractivity: 3.2 cm^3
• Polarizability: 3.2773068 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Mass Shift: M+4

Safety Information

• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: 1413
• German water hazard class: 2
• Hazard Class: 4.3
• Packing Group: 1
• Risk Statements: 14/15-23/24/25-34
• Safety Statements: 26-36/37/39-43-45
• GHS Pictograms: GHS02; GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H260-H301-H311-H314-H331
• GHS Precautionary statements: P223-P231 + P232-P261-P280-P370 + P378-P422
• RID/ADR: UN 1413 4.3/PG 1

Product Information

• Purity: ≥95%
• Linear Formula: LiBD4

DETAILS

Sigma Aldrich - 685917

Packaging
500 mg in glass bottle
Protocols & Applications
Boron-based Hydrogen Storage