chempirical

Calcium hexaboride

B6CaCAS 12007-99-7104.94 g/mol

Open in Covalent MOL file
BBB−BB−BCa2+

Properties

Molecular formula
B6Ca
Molar mass
104.94 g/mol
Exact mass
106.0184 Da
Density
2.45 g/mL
logP
-2.67Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
12007-99-7
SMILES
B12B3[B-]14B5[B-]23B45.[Ca+2]
InChIKey
AWVIDOFQNLOVRC-UHFFFAOYSA-N
InChI
InChI=1S/B6.Ca/c1-2-5(1)3-4(5)6(1,2)3;/q-2;+2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

2 names
  • Calcium boride (CaB6), (OC-6-11)-
  • Calcium boride (CaB6)

Work with Calcium hexaboride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Calcium phosphide1305-99-336 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia