2,4-difluorophenol

• ChemBase ID: 9350
• Molecular Formular: C6H4F2O
• Molecular Mass: 130.0921664
• Monoisotopic Mass: 130.02302119
• SMILES: c1c(cc(c(c1)O)F)F
• Canonical SMILES: Fc1ccc(c(c1)F)O
• InChI: InChI=1S/C6H4F2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
• InChIKey: NVWVWEWVLBKPSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-difluorophenol
• IUPAC Traditional name: 2,4-difluorophenol
• Synonyms: 2,4-Difluorophenol; 2,4-Difluorophenol; 2,4-Difluorophenol 99%; 2,4-Difluorophenol 98%; 2,4-二氟苯酚

Database IDs

• CAS Number: 367-27-1
• EC Number: 206-688-0
• MDL Number: MFCD00009715
• Beilstein Number: 1934803
• PubChem SID: 160972657; 24853964
• PubChem CID: 123051

CALCULATED PROPERTIES

• Acid pKa: 8.165628
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9541545
• LogD (pH = 7.4): 1.8868794
• Log P: 1.9550843
• Molar Refractivity: 28.4717 cm^3
• Polarizability: 10.441313 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 21-24°C; 22 - 24°C; 22°C; 22.4 °C(lit.); 22.4°C
• Boiling Point: 52-53 °C/19 mmHg(lit.); 52-53°C/19mm; 52-54°C/14mm
• Flash Point: 134.6 °F; 56°C(132°F); 57 °C; 57°C
• Density: 1.362; 1.362 g/mL at 25 °C(lit.)
• Refractive Index: 1.486; 1.4860; n20/D 1.486(lit.)
• Hydrophobicity(logP): 1.962

Safety Information

• Storage Warning: FLAMMABLE, CORROSIVE; Flammable/Harmful/Irritant
• European Hazard Symbols: Corrosive (C); Flammable (F); X; Harmful (Xn)
• UN Number: UN2921
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 11-21/22-34; 20/21/22-37/38-41
• Safety Statements: 26-36/37/39; 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS02; GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H314-H318-H228; H302-H312-H315-H318-H332-H335
• GHS Precautionary statements: P210-P301+P310-P303+P361+P353-P305+P351+P338-P361-P405-P501A; P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 98%; 98+%; 99%
• Linear Formula: F2C6H3OH

DETAILS

Sigma Aldrich - 233269

Packaging
5, 25 g in glass bottle