2,3-difluorophenol

• ChemBase ID: 9351
• Molecular Formular: C6H4F2O
• Molecular Mass: 130.0921664
• Monoisotopic Mass: 130.02302119
• SMILES: c1cc(c(c(c1)O)F)F
• Canonical SMILES: Fc1c(O)cccc1F
• InChI: InChI=1S/C6H4F2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H
• InChIKey: RPEPGIOVXBBUMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-difluorophenol
• IUPAC Traditional name: 2,3-difluorophenol
• Synonyms: 2,3-Difluorophenol 98%; 2,3-Difluorophenol; 2,3-Difluorophenol; 2,3-二氟苯酚

Database IDs

• CAS Number: 6418-38-8
• MDL Number: MFCD00010262
• Beilstein Number: 2082265
• PubChem SID: 24856066; 160972658
• PubChem CID: 80879

CALCULATED PROPERTIES

• Acid pKa: 7.6048555
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.951714
• LogD (pH = 7.4): 1.7467114
• Log P: 1.9550843
• Molar Refractivity: 28.4717 cm^3
• Polarizability: 10.439553 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 34-38°C; 39-42 °C(lit.); 39-42°C; 39-42°C°C; 41 - 42°C
• Boiling Point: 53-55°C/25mm; 54 °C/25 mmHg(lit.); 54°C/25mm; 54°C°C
• Flash Point: 134.6 °F; 56°C(132°F); 57 °C; 57°C°C
• Hydrophobicity(logP): 1.815

Safety Information

• Storage Warning: Flammable/Irritant; IRRITANT
• European Hazard Symbols: Corrosive (C); Flammable (F); X; Harmful (Xn)
• UN Number: 1325; UN2921
• German water hazard class: 3
• Hazard Class: 4.1; 8
• Packing Group: 2; II
• Risk Statements: 11-21/22-34; 11-22-36/37/38
• Safety Statements: 26; 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS02; GHS05; GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H302-H315-H319-H335; H301-H311-H314-H318-H228
• GHS Precautionary statements: P210-P301+P310-P303+P361+P353-P305+P351+P338-P361-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1325 4.1/PG 2

Product Information

• Purity: 95%; 97%; 98%; 98+%
• Linear Formula: F2C6H3OH

DETAILS

Sigma Aldrich - 265322

Packaging
1, 5 g in glass bottle