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

• ChemBase ID: 11954
• Molecular Formular: C8H9FO
• Molecular Mass: 140.1548632
• Monoisotopic Mass: 140.06374313
• SMILES: C(C)(O)c1c(cccc1)F
• Canonical SMILES: CC(c1ccccc1F)O
• InChI: InChI=1S/C8H9FO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3
• InChIKey: SXFYVXSOEBCFLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-fluorophenyl)ethan-1-ol
• IUPAC Traditional name: 1-(2-fluorophenyl)ethanol
• Synonyms: 1-(2-Fluorophenyl)ethanol; 1-(O-FLUOROPHENYL)ETHANOL; 1-(2-Fluorophenyl)ethan-1-ol; 2-Fluorophenylmethylcarbinol; 2-Fluoro-alpha-methylbenzyl alcohol 97%; 1-(2-Fluorophenyl)ethanol; 1-(2-fluorophenyl)ethan-1-ol; 1-(2-氟苯基)乙醇

Database IDs

• CAS Number: 445-26-1
• EC Number: 207-155-5
• MDL Number: MFCD00014401
• PubChem SID: 160975261
• PubChem CID: 123066

CALCULATED PROPERTIES

• Acid pKa: 14.416488
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.765173
• LogD (pH = 7.4): 1.765173
• Log P: 1.765173
• Molar Refractivity: 37.5091 cm^3
• Polarizability: 14.287999 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 110°C/135mm
• Refractive Index: 1.5; 1.505
• Hydrophobicity(logP): 1.556

Safety Information

• Storage Warning: Flammable; IRRITANT
• TSCA Listed: false; 否

Product Information

• Purity: 95%; 97%

DETAILS

MP Biomedicals - 05224786

MP Biomedicals Rare Chemical collection