1-bromo-1-chloro-2,2-difluoroethene

• ChemBase ID: 6829
• Molecular Formular: C2BrClF2
• Molecular Mass: 177.3752064
• Monoisotopic Mass: 175.88399612
• SMILES: C(=C(Cl)Br)(F)F
• Canonical SMILES: FC(=C(Br)Cl)F
• InChI: InChI=1S/C2BrClF2/c3-1(4)2(5)6
• InChIKey: NBYWEYFBDHRDOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-1-chloro-2,2-difluoroethene
• IUPAC Traditional name: 1-bromo-1-chloro-2,2-difluoroethene
• Synonyms: 1-Bromo-1-chlorodifluoroethylene 97%; 1-Bromo-1-chlorodifluoroethylene

Database IDs

• CAS Number: 758-24-7
• MDL Number: MFCD00166977
• PubChem SID: 160970136
• PubChem CID: 12963

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.19034
• LogD (pH = 7.4): 2.19034
• Log P: 2.19034
• Molar Refractivity: 44.1039 cm^3
• Polarizability: 9.163357 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 40-42°C
• Density: 1.888

Safety Information

• Storage Warning: Irritant
• TSCA Listed: false

Product Information

• Purity: 97%