2,6-difluoro-3-methoxyphenol

• ChemBase ID: 296328
• Molecular Formular: C7H6F2O2
• Molecular Mass: 160.1181464
• Monoisotopic Mass: 160.03358587
• SMILES: COc1ccc(c(c1F)O)F
• Canonical SMILES: COc1ccc(c(c1F)O)F
• InChI: InChI=1S/C7H6F2O2/c1-11-5-3-2-4(8)7(10)6(5)9/h2-3,10H,1H3
• InChIKey: UOVAWRHEABQHGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 886498-60-8
• MDL Number: MFCD04115907
• PubChem SID: 180681859
• PubChem CID: 3682862

CALCULATED PROPERTIES

• Acid pKa: 7.591294
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.793942
• LogD (pH = 7.4): 1.5842932
• Log P: 1.7974131
• Molar Refractivity: 34.9349 cm^3
• Polarizability: 13.006677 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 73-76°C

Safety Information

• 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%