2-fluoro-6-methoxyphenol

• ChemBase ID: 11949
• Molecular Formular: C7H7FO2
• Molecular Mass: 142.1276832
• Monoisotopic Mass: 142.04300768
• SMILES: c1ccc(c(c1OC)O)F
• Canonical SMILES: COc1cccc(c1O)F
• InChI: InChI=1S/C7H7FO2/c1-10-6-4-2-3-5(8)7(6)9/h2-4,9H,1H3
• InChIKey: YZNHPLVFLRSVHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-6-methoxyphenol
• IUPAC Traditional name: 2-fluoro-6-methoxyphenol
• Synonyms: 2-Fluoro-6-methoxyphenol; 2-Fluoro-6-methoxyphenol; 2-Hydroxy-3-fluoroanisole; 2-Fluoro-6-methoxyphenol 98%; 2-氟-6-甲氧基苯酚

Database IDs

• CAS Number: 73943-41-6
• MDL Number: MFCD00075140
• PubChem SID: 160975256; 24860556
• PubChem CID: 2737367

CALCULATED PROPERTIES

• Acid pKa: 9.062662
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6545932
• LogD (pH = 7.4): 1.6454464
• Log P: 1.6547111
• Molar Refractivity: 34.7185 cm^3
• Polarizability: 13.177085 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 130-131 °C/36 mmHg(lit.); 130-131°C/36mm; 130-131°C/36mm; 130-132°C/36mm
• Flash Point: 103 °C; 103°C; 103°C(218°F); 217.4 °F
• Density: 1.23; 1.23 g/mL at 25 °C(lit.); 1.230
• Refractive Index: 1.52; 1.5200; n20/D 1.52(lit.)
• Hydrophobicity(logP): 1.392

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: X; Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 22-37/38-41; 36/37/38
• Safety Statements: 26-36/37/39; 26-37/39
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H318-H315-H302-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280-P305+P351+P338-P337+P313
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 95%; 97%; 98%
• Linear Formula: FC6H3(OCH3)OH

DETAILS

Sigma Aldrich - 338575

Packaging
1 g in glass bottle