pentafluoro-$l^{5}-bromane

• ChemBase ID: 94144
• Molecular Formular: BrF5
• Molecular Mass: 174.896016
• Monoisotopic Mass: 173.9103531
• SMILES: [Br](F)(F)(F)(F)F
• Canonical SMILES: F[Br](F)(F)(F)F
• InChI: InChI=1S/BrF5/c2-1(3,4,5)6
• InChIKey: XHVUVQAANZKEKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentafluoro-$l^{5}-bromane; pentafluoro-λ^5-bromane
• IUPAC Traditional name: bromine pentafluoride; pentafluoro-λ^5-bromane
• Synonyms: Bromine pentafluoride 98%; Bromine pentafluoride

Database IDs

• CAS Number: 7789-30-2
• MDL Number: MFCD00042564
• PubChem SID: 162080799
• PubChem CID: 24606
• Chemspider ID: 23008
• Wikipedia Title: Bromine_pentafluoride

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.9628772
• LogD (pH = 7.4): 1.9628772
• Log P: 1.9628772
• Molar Refractivity: 16.2417 cm^3
• Polarizability: 6.0521207 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: reacts in water
• Apperance: Pale yellow liquid
• Melting Point: -61.30 °C
• Boiling Point: 40°C; 40.25 °C
• Flash Point: Non-flammable
• Density: 2.46; 2.466 g/cm^3

Safety Information

• Storage Warning: Oxidising agent
• RTECS: EF9350000
• Safety Statements: R R8 R23/24/25 R34 ; S45 S36/37/39
• NFPA704:
  

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