(3-ethoxy-2,6-difluorophenyl)methanol

• ChemBase ID: 296827
• Molecular Formular: C9H10F2O2
• Molecular Mass: 188.1713064
• Monoisotopic Mass: 188.064886
• SMILES: CCOc1ccc(c(c1F)CO)F
• Canonical SMILES: CCOc1ccc(c(c1F)CO)F
• InChI: InChI=1S/C9H10F2O2/c1-2-13-8-4-3-7(10)6(5-12)9(8)11/h3-4,12H,2,5H2,1H3
• InChIKey: FLKBAKMOEGHRFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-ethoxy-2,6-difluorophenyl)methanol
• IUPAC Traditional name: (3-ethoxy-2,6-difluorophenyl)methanol
• Synonyms: 3-Ethoxy-2,6-difluorobenzyl alcohol, JRD; 3-乙氧基-2,6-二氟苯甲醇, JRD

Database IDs

• MDL Number: MFCD11519370
• PubChem SID: 180682358
• PubChem CID: 18444713

CALCULATED PROPERTIES

• Acid pKa: 13.984579
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6904366
• LogD (pH = 7.4): 1.6904365
• Log P: 1.6904366
• Molar Refractivity: 44.5185 cm^3
• Polarizability: 16.617062 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 54-57°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P280G-P305+P351+P338

Product Information

• Purity: 97%