1,2,4,5,6,7-hexabora-3-strontatetracyclo[3.2.0.02,7.04,6]heptane

• ChemBase ID: 145013
• Molecular Formular: B6Sr
• Molecular Mass: 152.486
• Monoisotopic Mass: 153.9614444
• SMILES: B12B3B1[Sr]B1B2B31
• Canonical SMILES: [Sr]1B2B3B2B2B1B32
• InChI: InChI=1S/B6.Sr/c1-3-4(1)6-2-5(3)6;/q+2;-2
• InChIKey: SLJWUVDCYJZRON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,4,5,6,7-hexabora-3-strontatetracyclo[3.2.0.0^2,^7.0^4,^6]heptane
• IUPAC Traditional name: 1,2,4,5,6,7-hexabora-3-strontatetracyclo[3.2.0.0^2,^7.0^4,^6]heptane
• Synonyms: Strontium hexaboride; 六硼化锶

Database IDs

• CAS Number: 12046-54-7
• EC Number: 234-969-8
• MDL Number: MFCD01310211
• PubChem SID: 24864614; 162239223
• PubChem CID: 16212527

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.3
• LogD (pH = 7.4): 6.3
• Log P: 6.3
• Molar Refractivity: 0.0 cm^3
• Polarizability: 13.489563 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Density: 3.39 g/mL at 25 °C(lit.)

Safety Information

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

Product Information

• Purity: 99%
• Particle Size: -325 mesh
• Linear Formula: SrB6

DETAILS

Sigma Aldrich - 394777

Packaging
5, 25 g in glass bottle