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695254

Sigma-Aldrich

Calcium borohydride

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About This Item

Linear Formula:
Ca(BH4)2
CAS Number:
17068-95-0
Molecular Weight:
69.76
MDL number:
MFCD00015973
UNSPSC Code:
26111700
PubChem Substance ID:
329761727
NACRES:
NA.23

form

powder

reaction suitability

reagent type: reductant

greener alternative product characteristics

Design for Energy Efficiency
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Greener Alternative Product

greener alternative category

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SMILES string

[BH4-].[BH4-].[Ca++]

InChI

1S/2BH4.Ca/h2*1H4;/q2*-1;+2

InChI key

MOUPUCLGEWXWHJ-UHFFFAOYSA-N

General description

Calcium borohydride may be prepared using several techniques:
  • by reacting diborane with calcium hydride/alkoxides
  • by ball milling CaCl2 and NaBH4, resulting in an exchange reaction
  • by exchange reaction between CaCl2 and NaBH4 in THF
Ca(BH4)2 decomposes partially at 360oC and completely at 500oC.Ca(BH4)2 finds use in fuel cell, a study reports the lowering of hydrogen release temperature and pressure, by using TiCl3 as dopant.
We are committed to bringing you Greener Alternative Products, which adhere to one or more of The 12 Principles of Greener Chemistry. This product has been enhanced for energy efficiency. Find details here.

Application

Metal Borohydrides as Hydrogen Storage Materials
Calcium borohydride is a complex alkali earth metal borohydride, which has high gravimetric and volumetric hydrogen densities. It has a theoretical hydrogen capacity of 11.6 wt% and a low-reaction enthalpy of 32 kJ/mol H2. It can be used for greener applications, which include reversible hydrogen storage.

Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Skin Corr. 1B - Water-react 2

Supplementary Hazards

EUH014

Storage Class Code

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

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PRTR

Class I Designated Chemical Substances

FSL

Group 3: Spontaneously combustible substances and water- reactive materials
Metal hydrides
Hazardous rank I
1st spontaneously combustible materials and water reactive materials

JAN Code

695254-VAR:
695254-BULK:
695254-1G:

Certificates of Analysis (COA)

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Significantly enhanced dehydrogenation properties of calcium borohydride combined with urea
Chu H, et al.
Dalton Transactions, 43(41), 15291-15294 (2014)
Nanoconfinement in activated mesoporous carbon of calcium borohydride for improved reversible hydrogen storage
Comuanescu C, et al.
Nanotechnology, 23(38), 385401-385401 (2012)
Synthesis and characterisation of a mesoporous carbon/calcium borohydride nanocomposite for hydrogen storage
Ampoumogli A, et al.
International Journal of Hydrogen Energy, 37(21), 16631-16635 (2012)
Reversible hydrogen storage in calcium borohydride Ca (BH4) 2
Kim J, et al.
Scr. Mater., 58(6), 481-483 (2008)
Metal Borohydrides as Hydrogen Storage Materials
Soloveichik GL
Material Matters, 2(2), 11-11 (2007)

Articles

Metal Borohydrides as Hydrogen Storage Materials

An article about metal borohydrides as hydrogen storage materials

Mechanochemical Effect of Severe Plastic Deformations: Metal Alloys, Hydrides and Molecular Solids

Mechanochemical Effect of Severe Plastic Deformations: Metal Alloys, Hydrides and Molecular Solids

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