6-chloro-2-fluoro-3-methoxyphenol

• ChemBase ID: 297002
• Molecular Formular: C7H6ClFO2
• Molecular Mass: 176.5727432
• Monoisotopic Mass: 176.00403533
• SMILES: COc1ccc(c(c1F)O)Cl
• Canonical SMILES: COc1ccc(c(c1F)O)Cl
• InChI: InChI=1S/C7H6ClFO2/c1-11-5-3-2-4(8)7(10)6(5)9/h2-3,10H,1H3
• InChIKey: YZBJWCVCQBLADF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-2-fluoro-3-methoxyphenol
• IUPAC Traditional name: 6-chloro-2-fluoro-3-methoxyphenol
• Synonyms: 6-Chloro-2-fluoro-3-methoxyphenol; 6-氯-2-氟-3-甲氧基苯酚, JRD

Database IDs

• MDL Number: MFCD09832270
• PubChem SID: 180682533
• PubChem CID: 46737507

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): 2.2465007
• LogD (pH = 7.4): 1.7498598
• Log P: 2.258756
• Molar Refractivity: 39.5233 cm^3
• Polarizability: 15.155061 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 7.039262
• H Acceptors: 2

PROPERTIES

Physical Property

• Melting Point: 56-59°C

Safety Information

• European Hazard Symbols: X
• Risk Statements: 21/22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H312-H315-H319-H335
• GHS Precautionary statements: P280H-P305+P351+P338

Product Information

• Purity: 97%