4-fluorophenol

• ChemBase ID: 8314
• Molecular Formular: C6H5FO
• Molecular Mass: 112.1017032
• Monoisotopic Mass: 112.032443
• SMILES: Fc1ccc(cc1)O
• Canonical SMILES: Oc1ccc(cc1)F
• InChI: InChI=1S/C6H5FO/c7-5-1-3-6(8)4-2-5/h1-4,8H
• InChIKey: RHMPLDJJXGPMEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluorophenol
• IUPAC Traditional name: 4-fluorophenol
• Synonyms: 4-Fluorophenol; 4-Fluorophenol; p-FLUOROPHENOL; 4-Fluorophenol 99%; 4-Fluorophenol; 4-氟苯酚

Database IDs

• CAS Number: 371-41-5
• EC Number: 206-736-0
• MDL Number: MFCD00002316
• Beilstein Number: 1362752
• PubChem SID: 24844930; 160971621; 24894759
• PubChem CID: 9732

CALCULATED PROPERTIES

• Acid pKa: 9.235027
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.812303
• LogD (pH = 7.4): 1.8061153
• Log P: 1.8123825
• Molar Refractivity: 28.2553 cm^3
• Polarizability: 10.620049 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 43-46 °C(lit.); 44-47°C; 44-47°C; 44-49 °C; 46-48°C
• Boiling Point: 185 °C(lit.); 185°C; 185-188°C
• Flash Point: 154.4 °F; 68 °C; 68°C; 68.3°C; 68°C(154°F)
• Density: 1.22

Safety Information

• Storage Condition: 2-8°C
• Storage Warning: TOXIC; Toxic/Corrosive/Harmful/Irritant/Air Sensitive/Store under Argon
• RTECS: SL4550000
• European Hazard Symbols: Corrosive (C); Flammable (F); Toxic (T); X; Harmful (Xn)
• UN Number: 2811; 2928; UN2923
• German water hazard class: 1
• Hazard Class: 6.1; 8
• Packing Group: 2; II; III
• Australian Hazchem: 2XE
• Risk Statements: 20/21/22-36/37/38-52/53; 21/22-34; R:10-25
• Safety Statements: 26-36/37/39-45; 26-37/39-61; S:16-28-29-36/37/39-45
• EU Classification: T2
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 154
• TSCA Listed: true; 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335; H314-H318-H302-H312
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 2928 6.1/PG 2

Product Information

• Purity: ≥99.0% (GC); 97%; 98%; 99%
• Grade: puriss. p.a.
• Antion Traces: chloride (Cl-): ≤20 mg/kg; nitrate (NO3-): ≤10 mg/kg; nitrite (NO2-): ≤10 mg/kg
• Linear Formula: FC6H4OH

DETAILS

MP Biomedicals - 05212179

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02158136

Crystalline

Sigma Aldrich - F13207

Packaging
25, 100 g in glass bottle