1-bromo-1-fluoroethene

• ChemBase ID: 100761
• Molecular Formular: C2H2BrF
• Molecular Mass: 124.9396832
• Monoisotopic Mass: 123.93239028
• SMILES: FC(=C)Br
• Canonical SMILES: FC(=C)Br
• InChI: InChI=1S/C2H2BrF/c1-2(3)4/h1H2
• InChIKey: LNKSRHHQKNUTLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-1-fluoroethene
• IUPAC Traditional name: 1-bromo-1-fluoroethene
• Synonyms: 1-Bromo-1-fluoroethylene; 1-Bromo-1-fluoroethene 97%

Database IDs

• CAS Number: 420-25-7
• MDL Number: MFCD04038866
• PubChem SID: 162086944
• PubChem CID: 2782256

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.7236009
• LogD (pH = 7.4): 1.7236009
• Log P: 1.7236009
• Molar Refractivity: 28.3393 cm^3
• Polarizability: 7.083021 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 7°C

Safety Information

• Storage Warning: Flammable

DETAILS

Apollo Scientific Ltd - PC9606

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