1-ethenyl-2,4-difluorobenzene

• ChemBase ID: 98886
• Molecular Formular: C8H6F2
• Molecular Mass: 140.1300464
• Monoisotopic Mass: 140.04375663
• SMILES: Fc1c(ccc(c1)F)C=C
• Canonical SMILES: C=Cc1ccc(cc1F)F
• InChI: InChI=1S/C8H6F2/c1-2-6-3-4-7(9)5-8(6)10/h2-5H,1H2
• InChIKey: IZYHZMFAUFITLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 399-53-1
• MDL Number: MFCD00142824
• PubChem SID: 162085226
• PubChem CID: 20226675

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: 13.190373 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 60-62°C/10mm

Safety Information

• Storage Warning: Flammable/Irritant/Light Sensitive/Keep Cold/Store under Argon

DETAILS

Apollo Scientific Ltd - PC6274

Stabilised with 4-tert-Butylcatechol