lithium(1+) ion boranuide

• ChemBase ID: 104255
• Molecular Formular: BLi
• Molecular Mass: 17.752
• Monoisotopic Mass: 18.02530995
• SMILES: [Li+].[BH3-]
• 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 boranuide
• IUPAC Traditional name: LithoTab borohydride; lithium(1+) ion boranuide
• Synonyms: Lithium tetrahydridoborate; Lithium borohydride solution; LITHIUM BOROHYDRIDE; Lithium hydroborate; Lithium tetrahydroborate; Borate(1-), tetrahydro-, lithium; lithium boranate; Lithium borohydride; 硼氢化锂 溶液; 硼氢化锂

Database IDs

• CAS Number: 16949-15-8
• EC Number: 241-021-7
• MDL Number: MFCD00011088
• Merck Index: 145525
• PubChem SID: 24853325; 162091724; 24853783; 24882219
• PubChem CID: 4148881; 20722760
• Chemspider ID: 55732
• Wikipedia Title: Lithium_borohydride

CALCULATED PROPERTIES

• Acid pKa: 3.09
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.0
• LogD (pH = 7.4): 0.0
• Log P: 0.0
• Molar Refractivity: 0.0 cm^3
• Polarizability: 1.7969184 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 2.5 g/100 mL in ether; reacts in water; Soluble in ether, THF, and aliphatic amines
• Apperance: Powder; White solid
• Melting Point: 275 °C; 275 °C (dec.); 275-279 °C (527-534 °F). Decomposes slowly at melting point.; ca 280°C dec.
• Boiling Point: 278 °C (532 °F); 380 °C (decomp)
• Flash Point: -.4 °F; -18 °C; -40 °C; -40 °F
• Auto Ignition Point: > 180 °C; Greater than 180 °C (356 °F)
• Density: 0.66; 0.66 (water = 1); 0.666 g/cm^3; 0.666 g/mL at 25 °C(lit.); 0.719 g/mL at 25 °C; 0.896 g/mL at 25 °C
• Vapor Pressure: Essentially zero
• Heat Capacity: 3.792 J/g K
• Std enthalpy of formation: -8.759 kJ/g

Safety Information

• Storage Condition: Room Temperature (15-30°C), Desiccate, Store Under Nitrogen
• Storage Warning: Moisture Sensitive
• RTECS: ED2725000
• European Hazard Symbols: Corrosive (C); Flammable (F); Highly flammable (F+); Toxic (T); Harmful (Xn)
• UN Number: 1413; 3399; UN1413
• German water hazard class: 1; 2
• Hazard Class: 4.3
• Packing Group: 1; I
• Risk Statements: 11-14/15-19-20/21/22-36/37/38; 12-19-22-66-67; 14/15-23/24/25-34; R:14/15-34
• Safety Statements: 16; 16-26-36/37-43; 26-36/37/39-43-45; S:8-45
• EU Classification: W2
• EU Hazard Identification Number: 4.3
• Emergency Response Guidebook(ERG) Number: 138
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H224-H302-H315-H319-H336; H225-H260-H302-H314-H332-H335; H260-H301-H311-H314-H331; H260-H301-H311-H331-H314-H318
• GHS Precautionary statements: P210-P223-P231 + P232-P261-P370 + P378-P422; P210-P261-P305 + P351 + P338; P223-P231 + P232-P261-P280-P370 + P378-P422; P280-P303+P361+P353-P305+P351+P338-P310-P370+P378I-P402+P404
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1413 4.3/PG 1; UN 3399 4.3/PG 1
• Supplemental Hazard Statements: May form explosive peroxides.; May form explosive peroxides., Reacts violently with water.; Reacts violently with water.

Product Information

• Purity: ≥90%; ≥95.0%; 95%
• Concentration: 0.5 M in diethyl ether; 2.0 M in THF
• Grade: hydrogen-storage grade
• Linear Formula: LiBH4

DETAILS

Sigma Aldrich - 230200

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Packaging
4×10, 4×25, 100, 800 mL in Sure/Seal™
Application
Reactant for:
• Preparation of gallium, indium, rhenium and zinc tris(mercaptoimidazolyl)hydroborato complexes1
• Mechano-chemical metathesis reactions2
• Noncatalytic hydrolysis for hydrogen generation3
• Growth of large gold monolayer protected-clusters4
• Anion substitution reactions5
• Dehydrogenation reactions6

Sigma Aldrich - 702714

Application
Material may form precipitate on standing, which does not affect its use
Reactant for:
• Preparation of gallium, indium, rhenium and zinc tris(mercaptoimidazolyl)hydroborato complexes1
• Mechano-chemical metathesis reactions2
• Noncatalytic hydrolysis for hydrogen generation3
• Growth of large gold monolayer protected-clusters4
• Anion substitution reactions5
• Dehydrogenation reactions6
Packaging
100, 800 mL in Sure/Seal™

Sigma Aldrich - 686026

Analysis Note
Hydrogen content, XRD plots and metal purity data are available upon request.
Packaging
10 g in glass bottle
Protocols & Applications
Metal Borohydrides as Hydrogen Storage Materials
Complex Hydrides: A New Category of Solid-state Lithium Fast-ion Conductors
Boron-based Hydrogen Storage

Sigma Aldrich - 222356

Packaging
1 g in glass bottle
10, 50 g in poly bottle
Application
Versatile reducing agent for aldehydes, ketones, acid chlorides, lactones, epoxides, and esters.1 Applied in the lithiation of 2H-WS2 giving high yields of exfoliated WS2, and opening the way to new intercalation compounds and nanocomposites.2

Sigma Aldrich - 62460

Other Notes
Review1; Smooth reduction of esters2,3; Reduction of acids and other functional groups with LiBH4/Me3SiCl4
Packaging
5 g in glass bottle

REFERENCES

• Versatile reducing agent showing significant and useful differences from sodium borohydride. Review: Tetrahedron, 35, 567 (1979). For use in reduction of esters, see: J. Org. Chem., 47, 1604 (1982).
• The combination of LiBH₄ and TMS chloride is a versatile, powerful reducing agent, which will reduce carboxylic acids, amino acids, amides, nitriles, etc: Angew. Chem. Int. Ed., 28, 218 (1989).
• Useful catalyst, in acetonitrile, for conversion of acid-sensitive aldehydes to 1,3-oxathiolanes and 1,3-dithiolanes: Synlett, 238 (2001).
• Monograph: J. Seyden-Penne, Reductions by the Alumino- and Borohydrides In Organic Synthesis, 2nd ed., Wiley, N.Y. (1997).