2,6-difluoro-4-methoxyphenol

• ChemBase ID: 93862
• Molecular Formular: C7H6F2O2
• Molecular Mass: 160.1181464
• Monoisotopic Mass: 160.03358587
• SMILES: Oc1c(cc(cc1F)OC)F
• Canonical SMILES: COc1cc(F)c(c(c1)F)O
• InChI: InChI=1S/C7H6F2O2/c1-11-4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H3
• InChIKey: MGCPGVDPXCHXGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-difluoro-4-methoxyphenol
• IUPAC Traditional name: 2,6-difluoro-4-methoxyphenol
• Synonyms: 2,6-Difluoro-4-methoxyphenol; 3,5-Difluoro-4-hydroxyanisole; 2,6-Difluoro-4-methoxyphenol; 2,6-二氟-4-甲氧苯酚

Database IDs

• CAS Number: 886498-93-7
• MDL Number: MFCD04115926
• PubChem SID: 162080519
• PubChem CID: 3262262

CALCULATED PROPERTIES

• Acid pKa: 8.004745
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7960685
• LogD (pH = 7.4): 1.7019736
• Log P: 1.7974131
• Molar Refractivity: 34.9349 cm^3
• Polarizability: 13.005632 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 67-71°C; 67-71°C

Safety Information

• Storage Warning: Harmful/Irritant/Corrosive/Keep Cold/Store under Argon
• European Hazard Symbols: X
• Risk Statements: 22-37/38-41
• Safety Statements: 26-36/37/39
• TSCA Listed: 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%