2,3-difluoro-4-methoxyphenol

• ChemBase ID: 8981
• Molecular Formular: C7H6F2O2
• Molecular Mass: 160.1181464
• Monoisotopic Mass: 160.03358587
• SMILES: c1c(c(c(c(c1)O)F)F)OC
• Canonical SMILES: COc1ccc(c(c1F)F)O
• InChI: InChI=1S/C7H6F2O2/c1-11-5-3-2-4(10)6(8)7(5)9/h2-3,10H,1H3
• InChIKey: CKKAZWYLHGNVDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-difluoro-4-methoxyphenol
• IUPAC Traditional name: 2,3-difluoro-4-methoxyphenol
• Synonyms: 2,3-Difluoro-4-methoxyphenol; 2,3-Difluoro-4-hydroxyanisole; 2,3-Difluoro-4-methoxyphenol; 2,3-二氟-4-甲氧基苯酚

Database IDs

• CAS Number: 261763-29-5
• MDL Number: MFCD01631505
• PubChem SID: 160972288
• PubChem CID: 2774120

CALCULATED PROPERTIES

• Acid pKa: 8.10222
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7963372
• LogD (pH = 7.4): 1.7194182
• Log P: 1.7974131
• Molar Refractivity: 34.9349 cm^3
• Polarizability: 13.003739 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 103-106°C; 103-106°C

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT-HARMFUL
• European Hazard Symbols: X
• Risk Statements: 22-37/38-41
• Safety Statements: 26-36/37/39
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS07
• GHS Hazard statements: H318-H315-H302-H335
• GHS Precautionary statements: P280-P305+P351+P338-P337+P313

Product Information

• Purity: 97%