2-bromo-1,1-difluoroethene

• ChemBase ID: 6472
• Molecular Formular: C2HBrF2
• Molecular Mass: 142.9301464
• Monoisotopic Mass: 141.92296847
• SMILES: C(=C(F)F)Br
• Canonical SMILES: BrC=C(F)F
• InChI: InChI=1S/C2HBrF2/c3-1-2(4)5/h1H
• InChIKey: QZGNGBWAMYFUST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 359-08-0
• MDL Number: MFCD00042100
• PubChem SID: 160969779
• PubChem CID: 67754

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.7678642
• LogD (pH = 7.4): 1.7678642
• Log P: 1.7678642
• Molar Refractivity: 28.725 cm^3
• Polarizability: 7.1556253 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -115°C
• Boiling Point: 6°C; 6.1°C
• Density: 1.817

Safety Information

• Storage Warning: Flammable; GAS, FLAMMABLE
• TSCA Listed: true

Product Information

• Purity: 98%

DETAILS

Apollo Scientific Ltd - PC1390

Inhibited with d-limonene. Cylinder - 1/4" NPT connection