The CAS registry number of Iron boride (FeB) is 12006-84-7. Its EINECS registry number is 234-489-9. The IUPAC name is boranylidyneiron. In addition, the molecular formula is BFe and the molecular weight is 66.66. And it is a kind of gray orthogonal diamond crystal. It should be stored in a cool and dry place. In addition, this material may have harm to the environment, especially to the water.

Physical properties about this chemical are: (1)Exact Mass: 66.944248; (2)MonoIsotopic Mass: 66.944248; (3)Heavy Atom Count: 2; (4)Complexity: 10; (5)Covalently-Bonded Unit Count: 1.

Preparation and uses of Iron boride (FeB): it can be prepared by boron and iron in the presence of argon. This reaction temperature is 1200-1300 °C. It also can be obtianed by FeS and BCl₃ in the presence of hydrogen. The temperature of this reaction should be above 500 °C. In addition, iron chloride solution can react with boronhydro sodium(NaBH₄) to give this product. It is used as chemical reagent and catalyst in hydrogenation reaction.

You can still convert the following datas into molecular structure:
(1)SMILES: B#[Fe]
(2)InChI: InChI=1/B.Fe/rBFe/c1-2
(3)InChIKey: ZDVYABSQRRRIOJ-LIWJCMFKAM