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Merck

222356

Lithium borohydride

greener alternative

≥90%

Synonym(s):

Lithium boron hydride, Lithium hydroborate

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About This Item

Linear Formula:
LiBH4
CAS Number:
16949-15-8
Molecular Weight:
21.78
NACRES:
NA.22
PubChem Substance ID:
24853325
UNSPSC Code:
26111700
EC Number:
241-021-7
MDL number:
MFCD00011088
Assay:
≥90%
Form:
solid

Key Documents

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InChI key

UUKMSDRCXNLYOO-UHFFFAOYSA-N

InChI

1S/BH4.Li/h1H4;/q-1;+1

SMILES string

[Li+].[BH4-]

assay

≥90%

form

solid

reaction suitability

reagent type: reductant

greener alternative product characteristics

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Greener Alternative Product

mp

275 °C (dec.)

density

0.666 g/mL at 25 °C (lit.)

greener alternative category

Enabling,

Quality Level

100

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General description

Lithium borohydride, a white solid, may be prepared from the exchange reaction of LiCl and sodium borohydride in isopropylamine. The orthorhombic crystal structure converts to tetragonal at 108oC and eventually melting at 278oC. Infrared and Raman spectral studies at 80oC have been reported in a study.
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Application

Versatile reducing agent for aldehydes, ketones, acid chlorides, lactones, epoxides, and esters. Applied in the lithiation of 2H-WS2 giving high yields of exfoliated WS2, and opening the way to new intercalation compounds and nanocomposites. Lithium borohydride is used as hydrogen storage system. It regenerates hydrogen at 320-380oC at 10atm (H2 pressure).

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Danger

Hazard Classifications

Acute Tox. 3 Oral - Eye Dam. 1 - Skin Corr. 1B - Water-react 1

Storage Class

4.3 - Hazardous materials which set free flammable gases upon contact with water

wgk

WGK 2

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

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Certificates of Analysis (COA)

Lot/Batch Number
SHBN8216
SHBR2060
0000100103
0000074868
SHBL4900

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Tsai, H-L. et al.
Chemistry of Materials, 9, 879-879 (1997)
Fieser, M.
Reagents for Organic Synthesis, 14, 191-191 (1989)
Mita Dasog et al.
Chemical communications (Cambridge, England), 47(30), 8569-8571 (2011-06-28)
In the presence of large excesses of borohydride salts, gold monolayer protected-clusters can be grown to larger sizes simply by controlling the amount of reducing agent added to smaller clusters. In addition, gold monolayer clusters can be used as catalysts
Low temperature infrared and raman spectra of lithium borohydride.
Harvey KB and McQuaker NR
Canadian Journal of Chemistry, 49(21), 3282-3286 (1971)
Pascal Martelli et al.
The journal of physical chemistry. A, 114(37), 10117-10121 (2010-09-03)
The hydrogen dynamics in solid and in liquid LiBH4 was studied by means of incoherent quasielastic neutron scattering. Rotational jump diffusion of the BH4- subunits on the picosecond scale was observed in solid LiBH4. The characteristic time constant is significantly
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