• ChemBase ID: 126961
• Molecular Formular: B2
• Molecular Mass: 21.622
• Monoisotopic Mass: 22.0186108
• SMILES: [BH2].[BH2]
• Canonical SMILES: [BH2].[BH2]
• InChI: InChI=1S/2B
• InChIKey: KPSZQYZCNSCYGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• Synonyms: Diborane

Database IDs

• CAS Number: 19287-45-7
• EC Number: 242-940-6
• CHEBI ID: 33590
• Chemspider ID: 17215804
• Wikipedia Title: Diborane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -2.304
• LogD (pH = 7.4): -2.304
• Log P: -2.304
• Molar Refractivity: 4.8 cm^3
• Polarizability: 5.7672024 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colorless gas
• Melting Point: -164.85°C
• Boiling Point: -92.5°C
• Auto Ignition Point: 38 °C
• Density: 1.216 g/dm^3

Safety Information

• RTECS: HQ9275000
• NFPA704:
  

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