3H-1,2,3-diboralumiren-3-yl

• ChemBase ID: 125747
• Molecular Formular: AlB2H2
• Molecular Mass: 50.619418
• Monoisotopic Mass: 51.01579949
• SMILES: [BH]1=[BH][Al]1
• Canonical SMILES: [BH]1=[BH][Al]1
• InChI: InChI=1S/Al.B2/c;1-2/q-2;+2
• InChIKey: XGNZNBRDPPLKTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3H-1,2,3-diboralumiren-3-yl
• IUPAC Traditional name: aluminium diboride
• Synonyms: aluminium boride; aluminum diboride; Aluminium diboride; Aluminum diboride; 二硼化铝

Database IDs

• CAS Number: 12041-50-8
• EC Number: 234-923-7
• MDL Number: MFCD00084760
• PubChem SID: 24864829
• Chemspider ID: 21171253
• Wikipedia Title: Aluminium_diboride

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.65
• LogD (pH = 7.4): 3.65
• Log P: 3.65
• Molar Refractivity: 0.0 cm^3
• Polarizability: 5.4012547 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Insoluble in water
• Apperance: Copper-red solid; powder
• Melting Point: 1655°C
• Density: 3.19 g/cm3

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Particle Size: -325 mesh
• Linear Formula: AlB2

DETAILS

Sigma Aldrich - 399612

Packaging
5 g in glass bottle