4-ethenyl-1,2-difluorobenzene

• ChemBase ID: 98888
• Molecular Formular: C8H6F2
• Molecular Mass: 140.1300464
• Monoisotopic Mass: 140.04375663
• SMILES: Fc1c(ccc(c1)C=C)F
• Canonical SMILES: C=Cc1ccc(c(c1)F)F
• InChI: InChI=1S/C8H6F2/c1-2-6-3-4-7(9)8(10)5-6/h2-5H,1H2
• InChIKey: VPKZWIGZODEBDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethenyl-1,2-difluorobenzene
• IUPAC Traditional name: 4-ethenyl-1,2-difluorobenzene
• Synonyms: 1,2-Difluoro-4-vinylbenzene; 3,4-Difluorostyrene

Database IDs

• CAS Number: 405-03-8
• MDL Number: MFCD09038471
• PubChem SID: 162085228
• PubChem CID: 20487088

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.9953518
• LogD (pH = 7.4): 2.9953518
• Log P: 2.9953518
• Molar Refractivity: 36.1771 cm^3
• Polarizability: 13.186562 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable/Keep Cold

DETAILS

Apollo Scientific Ltd - PC6276

Stabilised with 4-tert-Butylcatechol