(4-fluorophenyl)methanol

• ChemBase ID: 7982
• Molecular Formular: C7H7FO
• Molecular Mass: 126.1282832
• Monoisotopic Mass: 126.04809306
• SMILES: c1c(ccc(c1)CO)F
• Canonical SMILES: OCc1ccc(cc1)F
• InChI: InChI=1S/C7H7FO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2
• InChIKey: GEZMEIHVFSWOCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-fluorophenyl)methanol
• IUPAC Traditional name: benzenemethanol, 4-fluoro-
• Synonyms: 4-Fluorobenzyl alcohol; (4-fluorophenyl)methanol; 4-Fluorobenzyl alcohol; (4-Fluorophenyl)methanol; 4-Fluorobenzyl alcohol 97%; p-FLUOROBENZYL ALCOHOL; 4-氟苄醇

Database IDs

• CAS Number: 459-56-3
• EC Number: 207-292-0
• MDL Number: MFCD00004651
• Beilstein Number: 1446930
• PubChem SID: 24894942; 160971289; 24870429
• PubChem CID: 68022

CALCULATED PROPERTIES

• Acid pKa: 14.962077
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.348598
• LogD (pH = 7.4): 1.348598
• Log P: 1.348598
• Molar Refractivity: 33.0903 cm^3
• Polarizability: 12.456715 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 22-24°C; 23°C
• Boiling Point: 204-206 °C; 206°C; 209°C/730mm; 209/730°C
• Flash Point: 194 °F; 90 °C; 90°C; 90°C(194°F)
• Density: 1.156; 1.156 g/mL at 25 °C(lit.); 1.161
• Refractive Index: 1.5070; 1.5080; n20/D 1.507(lit.); n20/D 1.510

Safety Information

• Storage Warning: IRRITANT; Irritant
• German water hazard class: 3
• TSCA Listed: false; 否
• GHS Hazard statements: H227
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥97.0% (GC); 97%; 98%
• Grade: purum
• Linear Formula: FC6H4CH2OH

DETAILS

MP Biomedicals - 05205210

MP Biomedicals Rare Chemical collection

Sigma Aldrich - F7407

Packaging
5, 25 g in glass bottle