1,1-dibromo-2,2-difluoroethene

• ChemBase ID: 8721
• Molecular Formular: C2Br2F2
• Molecular Mass: 221.8262064
• Monoisotopic Mass: 219.83348044
• SMILES: C(=C(F)F)(Br)Br
• Canonical SMILES: FC(=C(Br)Br)F
• InChI: InChI=1S/C2Br2F2/c3-1(4)2(5)6
• InChIKey: VTFPVQZQUFXLFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-dibromo-2,2-difluoroethene
• IUPAC Traditional name: 1,1-dibromo-2,2-difluoroethene
• Synonyms: 1,1-Dibromodifluoroethylene 97%; 1,1-Dibromodifluoroethylene

Database IDs

• CAS Number: 430-85-3
• MDL Number: MFCD00042098
• PubChem SID: 160972028
• PubChem CID: 79006

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.3403928
• LogD (pH = 7.4): 2.3403928
• Log P: 2.3403928
• Molar Refractivity: 46.7028 cm^3
• Polarizability: 10.434182 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 68-69°C
• Density: 2.29
• Refractive Index: 1.4458

Safety Information

• Storage Warning: TOXIC; Toxic
• TSCA Listed: false

Product Information

• Purity: 97%