1-bromo-1,2-difluoroethene

• ChemBase ID: 94108
• Molecular Formular: C2HBrF2
• Molecular Mass: 142.9301464
• Monoisotopic Mass: 141.92296847
• SMILES: Br/C(=C/F)/F
• Canonical SMILES: F/C=C(/Br)\F
• InChI: InChI=1S/C2HBrF2/c3-2(5)1-4/h1H
• InChIKey: YQPBMUIOKYTYDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 358-99-6
• MDL Number: MFCD09998062
• PubChem SID: 162080763
• PubChem CID: 6537023

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.5794556
• LogD (pH = 7.4): 1.5794556
• Log P: 1.5794556
• Molar Refractivity: 28.5525 cm^3
• Polarizability: 7.16518 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 15-20°C/760mm
• Density: 1.500

Safety Information

• Storage Warning: Flammable

DETAILS

Apollo Scientific Ltd - PC1243

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