4-ethoxy-1,2-difluorobenzene

• ChemBase ID: 100045
• Molecular Formular: C8H8F2O
• Molecular Mass: 158.1453264
• Monoisotopic Mass: 158.05432132
• SMILES: Fc1c(ccc(c1)OCC)F
• Canonical SMILES: CCOc1ccc(c(c1)F)F
• InChI: InChI=1S/C8H8F2O/c1-2-11-6-3-4-7(9)8(10)5-6/h3-5H,2H2,1H3
• InChIKey: DZIMITACCINBLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethoxy-1,2-difluorobenzene
• IUPAC Traditional name: 4-ethoxy-1,2-difluorobenzene
• Synonyms: 3,4-Difluorophenetole; 3,4-Difluoro-4-ethoxybenzene; 3,4-Difluorophenyl ethyl ether; 3,4-Difluorophenetole; 4-Ethoxy-1,2-difluorobenzene; 3,4-二氟苯乙醚

Database IDs

• CAS Number: 163848-46-2
• MDL Number: MFCD00673005
• PubChem SID: 162086897
• PubChem CID: 2774187

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4577863
• LogD (pH = 7.4): 2.4577863
• Log P: 2.4577863
• Molar Refractivity: 37.7026 cm^3
• Polarizability: 14.110208 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%; 98%