4-ethoxy-2,6-difluorophenol

• ChemBase ID: 297012
• Molecular Formular: C8H8F2O2
• Molecular Mass: 174.1447264
• Monoisotopic Mass: 174.04923594
• SMILES: CCOc1cc(c(c(c1)F)O)F
• Canonical SMILES: CCOc1cc(F)c(c(c1)F)O
• InChI: InChI=1S/C8H8F2O2/c1-2-12-5-3-6(9)8(11)7(10)4-5/h3-4,11H,2H2,1H3
• InChIKey: OXLPDJVMIACZLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethoxy-2,6-difluorophenol
• IUPAC Traditional name: 4-ethoxy-2,6-difluorophenol
• Synonyms: 4-Ethoxy-2,6-difluorophenol, JRD; 4-乙氧基-2,6-二氟苯酚, JRD

Database IDs

• MDL Number: MFCD09258699
• PubChem SID: 180682543
• PubChem CID: 46737618

CALCULATED PROPERTIES

• Acid pKa: 7.9952593
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1528468
• LogD (pH = 7.4): 2.0568993
• Log P: 2.154221
• Molar Refractivity: 39.6835 cm^3
• Polarizability: 14.803226 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 97%