4-ethoxy-2,3-difluorophenol

• ChemBase ID: 296813
• Molecular Formular: C8H8F2O2
• Molecular Mass: 174.1447264
• Monoisotopic Mass: 174.04923594
• SMILES: CCOc1ccc(c(c1F)F)O
• Canonical SMILES: CCOc1ccc(c(c1F)F)O
• InChI: InChI=1S/C8H8F2O2/c1-2-12-6-4-3-5(11)7(9)8(6)10/h3-4,11H,2H2,1H3
• InChIKey: PKIYFPSPIFCDDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethoxy-2,3-difluorophenol
• IUPAC Traditional name: 4-ethoxy-2,3-difluorophenol
• Synonyms: 4-Ethoxy-2,3-difluorophenol, JRD; 1-HYDROXY-4-ETHOXY-2,3-DIFLUOROBENZENE; 4-乙氧基-2,3-二氟苯酚, JRD

Database IDs

• CAS Number: 126163-56-2
• MDL Number: MFCD07368025
• PubChem SID: 180682344
• PubChem CID: 14495763

CALCULATED PROPERTIES

• Acid pKa: 8.093144
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1531224
• LogD (pH = 7.4): 2.0747244
• Log P: 2.154221
• Molar Refractivity: 39.6835 cm^3
• Polarizability: 14.801295 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%