2-(2-fluorophenyl)ethan-1-ol

• ChemBase ID: 8304
• Molecular Formular: C8H9FO
• Molecular Mass: 140.1548632
• Monoisotopic Mass: 140.06374313
• SMILES: c1ccc(c(c1)CCO)F
• Canonical SMILES: OCCc1ccccc1F
• InChI: InChI=1S/C8H9FO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,10H,5-6H2
• InChIKey: HNIGZVZDWCTFPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-fluorophenyl)ethan-1-ol
• IUPAC Traditional name: 2-(2-fluorophenyl)ethanol
• Synonyms: 2-(2-fluorophenyl)ethanol; 2-(2-Fluorophenyl)ethanol; 2-Fluorophenethyl alcohol; 2-Fluorophenethyl alcohol 99%; 2-Fluorophenethyl alcohol; 2-(2-fluorophenyl)ethan-1-ol; 1-Fluoro-2-(2-hydroxyethyl)benzene; 2-Fluorophenethyl alcohol; 2-氟苯乙基 乙醇; 2-氟苯乙醇

Database IDs

• CAS Number: 50919-06-7
• MDL Number: MFCD00002887
• PubChem SID: 160971611; 24853711
• PubChem CID: 2733296

CALCULATED PROPERTIES

• Acid pKa: 15.746268
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.6372592
• LogD (pH = 7.4): 1.6372592
• Log P: 1.6372592
• Molar Refractivity: 37.8453 cm^3
• Polarizability: 14.219462 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 72°C/1mm
• Flash Point: 208.4 °F; 98 °C; 98°C(208°F)
• Density: 1.045; 1.045 g/mL at 25 °C(lit.)
• Refractive Index: 1.509; 1.5100; n20/D 1.509(lit.)
• Hydrophobicity(logP): 1.476

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 23-26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: 95%; 98%; 99%
• Linear Formula: FC6H4CH2CH2OH

DETAILS

Sigma Aldrich - 228788

Packaging
5 g in glass bottle